data_6lxg_residue ############################ # Computer software used # ############################ 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 6lxg _Structure_validation_residue.Date_analyzed 2020-11-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.877 0.37 . . . . 2.94 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.05 146.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 1.45 111.221 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.22 170.93 7.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.186 -0.461 . . . . 1.24 111.016 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.407 HD12 ' CE2' ' A' ' 48' ' ' PHE . 29.2 mt -136.83 134.07 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.333 -0.394 . . . . 1.7 111.462 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -108.03 104.55 14.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.093 -0.503 . . . . 1.51 110.435 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.6 t -103.17 112.66 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.255 -0.43 . . . . 1.09 111.568 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.3 127.94 36.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.124 -0.489 . . . . 2.0 110.534 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.36 165.21 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.898 0.38 . . . . 1.16 111.355 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 mt -54.16 148.18 11.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 2.39 110.949 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -65.06 84.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 2.15 111.278 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -153.71 124.4 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 3.38 110.682 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.421 ' CG ' HD13 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -58.27 -30.37 66.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.793 0.33 . . . . 2.2 110.645 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -38.56 64.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 3.69 110.819 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.87 -43.73 92.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 1.91 110.694 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.5 -46.1 89.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 2.34 110.602 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 t -61.84 -40.78 96.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 1.71 110.424 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.79 -43.48 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 1.75 110.583 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.4 t -66.23 -40.01 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.016 -0.538 . . . . 1.24 110.837 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -65.6 -36.88 85.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 1.15 110.424 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.98 -41.4 96.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 3.58 110.54 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.52 87.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 1.27 110.816 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.65 -49.73 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.971 -0.559 . . . . 1.35 110.773 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.05 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.17 111.068 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -59.62 -31.05 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 1.62 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 23.74 13.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 2.57 111.118 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mttt 56.73 32.44 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.386 -0.37 . . . . 3.93 111.021 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.94 97.55 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 1.4 111.117 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.21 113.5 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 2.96 110.907 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.49 128.77 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.37 111.131 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.64 -34.03 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.53 110.957 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -173.02 169.44 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.66 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.09 151.73 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 1.11 111.227 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -163.72 132.82 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 1.8 110.776 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.27 140.78 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.326 -0.397 . . . . 1.8 111.424 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -136.75 151.49 49.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.029 -0.532 . . . . 2.03 110.769 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -74.13 108.94 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 1.95 111.055 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -56.32 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 1.54 110.876 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.73 -87.7 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.833 -0.698 . . . . 1.34 112.406 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.73 -76.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 2.69 110.73 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -96.81 33.35 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.06 0.457 . . . . 4.62 110.417 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.96 125.86 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 1.98 111.16 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.91 125.91 44.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 1.21 111.305 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.64 111.12 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 2.22 110.815 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -97.85 129.81 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.64 111.233 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.25 142.16 43.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.061 -0.518 . . . . 3.8 110.61 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.59 125.45 17.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.923 0.392 . . . . 2.84 111.365 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -110.43 116.28 31.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.971 -0.559 . . . . 1.32 110.583 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.415 ' CE1' ' HG3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -151.1 146.84 26.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 2.24 111.166 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.74 145.44 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 2.47 110.806 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.415 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 1.1 mmt -150.06 161.46 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 5.27 111.088 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.76 -41.54 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 1.44 112.453 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.76 133.15 40.28 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.543 0.211 . . . . 1.99 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -78.04 -27.9 5.33 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.53 2.153 . . . . 1.44 112.46 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -60.02 -37.38 79.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 3.8 110.971 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -44.53 37.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 3.75 110.558 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -31.99 72.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 2.44 110.059 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.82 -43.8 33.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.773 -0.727 . . . . 0.84 111.851 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -31.03 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.727 0.299 . . . . 3.35 110.954 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -47.8 84.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.943 0.401 . . . . 2.23 111.019 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.33 -48.2 81.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.988 -0.551 . . . . 1.92 110.924 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.49 -38.59 87.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 2.06 110.733 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.9 97.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 1.22 110.82 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 t -57.72 -29.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 1.16 110.853 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -60.76 -29.77 69.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 3.5 110.776 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.17 -1.57 40.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 1.67 111.519 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 21.5 t -77.87 103.49 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.811 0.338 . . . . 1.18 110.869 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -52.56 120.12 5.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 2.43 110.661 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.18 24.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.48 112.563 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.407 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 47.9 t -87.37 124.25 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 120.871 0.367 . . . . 1.17 111.073 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -54.82 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.94 111.165 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -166.82 169.3 13.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.03 -0.532 . . . . 1.97 111.041 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -126.54 139.54 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.17 -0.468 . . . . 1.14 111.258 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -135.77 124.59 23.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.212 -0.449 . . . . 2.72 111.048 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -63.54 113.7 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 3.49 110.821 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 1.26 111.262 -179.815 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.859 0.361 . . . . 1.31 111.242 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.68 167.88 10.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.15 -0.477 . . . . 1.15 111.074 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.425 HG23 HD12 ' B' ' 4' ' ' ILE . 34.3 mt -142.23 131.96 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.349 -0.387 . . . . 1.79 111.452 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -107.15 113.39 26.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.116 -0.493 . . . . 1.54 110.708 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.43 112.85 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.304 -0.407 . . . . 1.11 111.399 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -94.09 135.2 35.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.94 110.801 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.37 161.68 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 1.18 111.201 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.24 142.14 44.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 2.58 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -65.63 90.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 2.09 111.067 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -136.14 171.09 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.67 110.801 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.42 -12.57 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 3.14 111.333 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -100.5 -33.71 10.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 4.15 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -58.41 -40.72 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 2.03 110.958 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -56.96 15.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.06 -0.518 . . . . 2.57 110.316 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -58.85 -28.78 66.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 1.74 110.204 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -48.11 74.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.56 110.327 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.41 -44.09 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.544 . . . . 1.16 110.413 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -37.38 84.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 1.28 110.098 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -44.97 59.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.765 -0.652 . . . . 3.26 110.853 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.03 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 1.17 110.74 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -78.64 -32.7 47.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.782 -0.644 . . . . 1.23 110.551 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.36 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 1.43 111.063 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.86 -28.3 9.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 2.02 111.035 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.04 16.34 22.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 2.25 111.185 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 mttt 50.95 30.33 5.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.464 -0.334 . . . . 3.24 111.264 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.93 97.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.747 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.72 110.58 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 2.23 110.834 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.421 HD13 ' CG ' ' A' ' 12' ' ' HIS . 17.4 mt -96.38 136.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.619 . . . . 1.11 110.65 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 47' ' ' THR . 94.2 mt -74.23 -22.29 59.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 1.39 111.037 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.04 130.83 3.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.056 0.455 . . . . 1.66 111.115 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.4 126.84 41.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.955 -0.566 . . . . 1.08 110.508 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.3 p -156.75 141.18 16.67 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 1.56 111.606 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 10.5 p -131.37 134.61 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.955 -0.566 . . . . 1.25 111.142 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.8 p -136.76 143.83 43.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.123 -0.489 . . . . 2.18 110.967 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.5 p -76.39 128.16 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.87 110.964 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -67.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 2.16 110.898 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -70.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.821 -0.704 . . . . 1.42 112.442 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -68.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 2.22 110.809 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -97.04 37.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 4.49 110.578 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 122.5 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.0 -0.546 . . . . 2.17 111.282 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.77 115.84 28.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.968 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 29.8 mt -102.87 113.93 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.156 -0.474 . . . . 2.14 111.366 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 25.0 m -97.9 154.44 17.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.71 110.527 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.96 116.69 10.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.791 0.329 . . . . 3.24 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -116.2 124.78 51.11 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.004 -0.543 . . . . 2.28 111.085 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' LEU . 61.8 m -111.56 117.59 33.41 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.016 -0.538 . . . . 1.17 109.913 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -146.35 171.95 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 2.56 111.448 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -87.59 162.69 17.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.901 -0.591 . . . . 2.25 110.757 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.99 163.15 13.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.956 0.408 . . . . 5.49 111.261 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.56 -64.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.929 -0.653 . . . . 1.51 112.219 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.48 128.8 25.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.57 0.224 . . . . 2.06 110.701 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -29.29 17.1 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.418 2.078 . . . . 1.8 112.404 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -64.92 -37.07 86.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 3.65 110.929 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -76.45 -44.52 35.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 2.92 110.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.03 -32.08 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 2.26 110.081 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.51 27.01 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.746 -0.74 . . . . 0.83 111.866 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.27 -26.59 62.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.716 0.293 . . . . 3.12 110.811 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -54.04 49.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 2.35 110.888 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -47.9 80.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.964 -0.562 . . . . 1.8 110.786 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -35.56 79.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 1.94 110.663 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.08 -45.0 82.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.31 110.785 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.1 -30.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 1.14 111.005 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -61.61 -29.99 70.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 3.13 110.74 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -81.08 0.26 36.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.42 111.569 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.0 t -82.2 103.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.885 0.374 . . . . 1.19 110.78 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -53.7 119.77 5.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.059 -0.518 . . . . 2.66 110.985 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.29 -24.3 18.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.52 112.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.413 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 46.5 t -80.44 124.91 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.811 0.339 . . . . 1.52 110.983 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 3.05 111.012 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.87 169.24 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 1.56 111.114 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.74 136.73 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.006 -0.543 . . . . 1.09 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.44 124.81 24.78 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.288 -0.415 . . . . 2.67 111.252 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.1 112.85 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 3.6 110.783 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 1.29 111.238 -179.834 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.882 0.372 . . . . 75.31 111.178 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.1 143.5 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.091 -0.504 . . . . 73.35 111.243 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.421 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -100.62 159.54 15.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 4' ' ' ILE . 25.2 mt -137.34 134.44 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 120.973 0.416 . . . . 71.33 111.666 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -106.9 105.37 15.37 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.975 -0.557 . . . . 71.15 110.332 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.6 112.87 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.902 0.382 . . . . 64.13 111.553 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.23 124.18 37.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.056 -0.52 . . . . 72.24 110.568 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.32 161.75 35.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 73.52 111.182 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mt -49.85 145.19 5.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 53.54 111.011 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -60.38 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.14 111.133 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -152.91 121.51 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 75.44 110.624 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.427 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 1.5 t60 -58.57 -30.77 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.692 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -53.5 -37.46 62.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 72.34 110.831 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.69 -42.23 91.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.627 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.66 -52.43 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.553 . . . . 74.45 110.61 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -60.99 -35.43 76.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.624 . . . . 64.41 110.499 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -42.6 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 74.11 110.533 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.72 -38.47 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 75.21 110.817 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -67.28 -37.33 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 72.25 110.487 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -62.56 -40.54 97.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 73.3 110.718 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.2 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 74.43 110.823 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.6 -56.18 11.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 75.54 110.799 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.09 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.028 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.29 -29.91 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.865 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -103.7 22.86 13.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.994 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp 62.68 38.66 11.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 53.02 110.969 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -94.66 121.85 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.14 111.003 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.35 117.45 29.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.027 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.9 129.05 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.031 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -75.09 -41.49 58.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.051 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -173.37 171.65 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 72.51 111.04 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.92 158.14 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.199 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 t -163.71 124.69 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.39 . . . . 71.53 110.929 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.1 p -121.08 139.09 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.293 -0.412 . . . . 74.4 111.375 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.5 m -136.66 137.52 40.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.05 -0.523 . . . . 73.22 110.86 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 111.85 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 71.24 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 t -60.67 -66.91 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 63.51 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -89.05 1.46 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.761 -0.733 . . . . 61.22 112.382 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.47 -72.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.35 110.789 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.27 35.5 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.039 0.447 . . . . 75.1 110.517 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.4 121.82 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 74.23 111.235 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.17 116.8 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.183 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.5 mt -89.85 111.82 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.964 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.04 132.03 43.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.14 111.095 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.47 117.26 29.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.428 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -109.02 159.36 16.9 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.954 0.407 . . . . 72.43 111.43 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.7 m -145.6 115.27 7.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.799 -0.637 . . . . 74.21 110.308 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -150.78 171.16 17.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.336 -0.393 . . . . 74.22 111.218 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -88.53 149.72 23.47 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.07 -0.514 . . . . 65.5 110.701 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -109.15 160.48 16.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.888 0.375 . . . . 73.44 111.26 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.86 -78.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.946 -0.645 . . . . 74.22 112.286 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 141.91 23.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.622 0.249 . . . . 72.15 110.754 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -74.33 -19.15 19.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 73.44 112.684 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -41.96 87.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 72.32 111.19 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 56' ' ' LEU . 8.3 p80 -77.44 -38.17 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.733 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' N ' ' ND1' ' A' ' 55' ' ' HIS . 6.2 tp -74.84 -32.98 62.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 75.0 110.084 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.75 -41.52 34.19 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.805 -0.712 . . . . 74.1 111.765 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -75.87 -32.71 59.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.821 0.343 . . . . 71.33 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.25 -48.01 80.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.53 110.933 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -57.21 -48.52 78.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 71.12 110.822 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -61.12 -40.93 95.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.634 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.18 95.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 71.12 110.873 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.8 t -58.45 -29.86 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.898 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -62.18 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.53 110.842 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -85.69 6.58 27.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.288 -0.415 . . . . 74.2 111.568 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.6 t -81.55 104.15 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 120.858 0.361 . . . . 74.54 110.797 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.18 120.07 5.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 74.1 110.675 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.15 -21.77 24.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 72.24 112.652 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -87.52 124.7 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.789 0.328 . . . . 72.24 111.215 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -54.88 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 63.24 111.256 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -166.74 169.2 13.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.083 -0.508 . . . . 73.2 111.072 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.42 135.89 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.157 -0.474 . . . . 73.25 111.339 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 135.17 40.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.332 -0.395 . . . . 63.23 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -67.02 114.26 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.24 110.901 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 3' ' ' ALA . 5.9 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.863 0.363 . . . . 74.44 111.344 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -102.84 156.9 17.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.129 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 17.3 mt -134.11 132.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.399 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -107.62 106.5 16.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.085 -0.507 . . . . 65.12 110.547 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.55 112.91 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 120.906 0.384 . . . . 62.13 111.605 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -97.44 137.66 36.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.063 -0.517 . . . . 75.13 110.594 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.36 161.82 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.917 0.389 . . . . 75.53 111.334 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.21 149.75 40.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 73.32 110.886 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.66 110.99 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.03 111.069 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.43 132.56 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 62.53 110.81 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -29.77 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.15 111.172 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -89.72 -19.8 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.19 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -42.54 84.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.385 . . . . 72.4 110.984 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -56.92 15.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 73.21 110.457 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.4 m -57.84 -30.46 65.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.738 -0.664 . . . . 63.11 110.368 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 73.14 110.47 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' B' ' 46' ' ' PHE . 40.5 t -66.66 -40.4 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -37.26 77.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 74.4 110.223 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.47 -40.49 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 75.32 110.652 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.78 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 70.35 110.762 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.07 -33.15 61.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 75.11 110.643 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.33 -23.32 60.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.998 -0.547 . . . . 75.2 111.277 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -49.63 -28.15 5.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.428 -0.351 . . . . 74.53 111.195 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 21.93 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 73.12 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 51.29 32.11 7.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 75.5 111.156 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 t -58.68 100.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 53.42 110.855 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.44 107.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.34 110.845 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.427 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 8.5 mt -96.36 128.08 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 75.34 110.633 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 47' ' ' THR . 23.3 mt -74.66 -30.82 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.413 . . . . 74.53 110.411 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -136.03 131.27 34.73 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.098 -0.501 . . . . 64.02 110.933 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.31 122.16 19.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.482 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.9 t -157.02 133.06 9.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.931 0.396 . . . . 72.05 111.537 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.19 130.0 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.017 -0.538 . . . . 74.14 111.214 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -136.66 154.07 50.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.842 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.9 p -92.77 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.931 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -97.47 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.804 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.21 -120.71 1.41 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.857 -0.687 . . . . 71.54 112.444 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.69 -70.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 74.2 110.778 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -97.53 36.61 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 65.54 110.519 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -137.33 113.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.926 -0.579 . . . . 74.12 111.403 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.52 145.28 40.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 61.24 110.949 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mt -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 116.255 -0.43 . . . . 62.24 111.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 12.5 m -116.5 149.22 39.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.749 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -134.82 117.32 15.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' B' ' 44' ' ' SER . 60.5 m-85 -124.23 125.31 44.19 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.973 0.416 . . . . 74.55 111.502 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.0 m -112.98 127.62 56.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.905 -0.589 . . . . 74.41 109.9 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' CD2' ' B' ' 56' ' ' LEU . 1.9 p90 -144.81 151.12 38.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 75.24 111.499 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -103.24 117.35 34.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.873 -0.603 . . . . 73.22 110.858 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mtt -149.94 154.45 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 70.1 111.103 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.73 -28.11 4.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 74.52 112.445 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.92 110.92 10.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.563 0.221 . . . . 63.05 110.845 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.23 -27.04 35.32 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.082 . . . . 74.11 112.393 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -33.29 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -77.47 -44.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.648 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.422 ' CD2' ' CZ ' ' B' ' 48' ' ' PHE . 4.5 mp -69.93 -32.07 70.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 53.33 110.145 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.15 -42.46 28.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.714 -0.755 . . . . 72.44 111.891 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -72.48 -29.91 64.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 73.44 110.853 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.21 -46.57 88.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.309 -0.405 . . . . 60.14 110.925 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.77 -50.25 74.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 72.13 110.768 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.86 -37.63 82.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 70.35 110.634 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.18 98.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 62.43 110.667 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 19.4 t -56.13 -30.77 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 74.32 111.005 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -60.21 -31.86 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.72 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.67 -6.52 52.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.444 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.415 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.6 t -77.39 104.18 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.889 0.376 . . . . 74.32 110.724 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.79 120.2 5.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 70.54 110.936 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.16 -24.08 19.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 74.01 112.752 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.415 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 99.4 t -78.12 115.13 19.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.886 0.374 . . . . 75.03 110.956 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -52.34 26.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.041 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 71.54 111.156 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.02 139.82 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.962 -0.563 . . . . 72.14 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -135.44 123.52 22.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.385 -0.37 . . . . 71.41 111.211 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -64.84 113.73 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.666 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.32 111.238 -179.697 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 75.31 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.25 145.48 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 73.35 111.239 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.77 165.09 11.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.928 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.414 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 34.2 mt -140.78 139.84 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.277 -0.42 . . . . 71.33 111.333 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -109.39 104.68 13.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.776 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -103.27 112.73 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.205 -0.452 . . . . 64.13 111.265 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -92.71 129.96 38.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.49 . . . . 72.24 110.538 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.48 164.46 34.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 73.52 111.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.6 mt -52.12 144.5 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 53.54 111.055 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.09 80.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.144 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -153.51 124.93 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.738 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.443 ' CE1' HG23 ' B' ' 19' ' ' THR . 70.0 t60 -58.58 -27.62 64.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 72.33 110.827 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -40.58 72.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.983 0.42 . . . . 72.34 110.719 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.59 -41.32 98.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 74.31 110.643 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.6 -49.45 76.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.561 . . . . 74.45 110.62 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -60.78 -40.96 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 64.41 110.532 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.4 -41.64 98.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 74.11 110.667 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.6 t -67.84 -37.13 77.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 75.21 110.853 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -67.21 -38.5 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 72.25 110.546 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.53 -39.22 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 73.3 110.719 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.82 84.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.913 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.3 mt -65.82 -54.69 23.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 75.54 110.844 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.23 73.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.12 111.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.51 -30.72 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.867 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.03 22.56 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.53 111.15 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt 59.81 45.29 12.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 53.02 110.996 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.05 85.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.069 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -64.18 120.6 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -96.35 128.05 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.061 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -75.04 -31.01 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.956 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.32 168.07 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.01 151.51 5.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 74.05 111.32 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.416 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 10.9 t -163.65 132.04 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.91 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 p -123.34 141.62 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.556 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 t -136.52 154.06 50.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.032 -0.531 . . . . 73.22 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -63.51 113.3 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.24 111.045 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -66.93 -38.52 86.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 63.51 111.045 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.93 -104.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.68 -0.771 . . . . 61.22 112.647 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -98.69 110.07 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 74.35 111.099 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 53.5 36.1 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.05 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.47 142.15 37.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 74.23 110.972 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.07 121.78 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.01 111.315 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.82 107.83 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 75.33 110.808 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 133.49 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 73.14 111.22 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -112.24 133.31 54.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.071 -0.513 . . . . 72.22 110.592 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -123.64 125.58 45.06 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.332 -0.395 . . . . 72.43 111.247 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -114.42 120.45 40.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.958 -0.565 . . . . 74.21 110.511 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CE2' HD13 ' A' ' 4' ' ' ILE . 1.4 p90 -150.7 171.14 17.63 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.098 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.53 165.78 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 65.5 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.4 ' CE ' ' CD2' ' A' ' 56' ' ' LEU . 2.0 mtp -109.07 162.32 14.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.211 -0.449 . . . . 73.44 111.097 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.37 -63.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.844 -0.693 . . . . 74.22 112.414 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -106.32 101.05 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.605 0.241 . . . . 72.15 110.98 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.63 -33.83 50.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.096 . . . . 73.44 112.364 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -67.68 -30.34 69.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 72.32 111.05 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -77.24 -44.32 30.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.624 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 4.6 pp -72.32 -29.26 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 75.0 110.044 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.63 -46.6 24.08 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.832 -0.699 . . . . 74.1 111.835 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -71.93 -32.78 67.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.815 0.341 . . . . 71.33 110.634 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.5 tp -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.53 110.755 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -60.01 -48.28 82.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 71.12 110.795 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -60.95 -40.96 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.632 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.25 99.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 71.12 110.892 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 37.5 t -58.23 -29.46 37.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 74.43 110.904 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -27.87 69.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 71.53 110.73 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.39 -1.51 41.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.528 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.97 104.17 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 120.914 0.387 . . . . 74.54 110.636 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.86 119.93 4.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.087 -0.506 . . . . 74.1 110.735 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -22.65 22.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.24 112.559 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.18 126.88 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.825 0.345 . . . . 72.24 111.143 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.7 -54.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.246 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -166.75 168.97 13.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 73.2 111.097 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 35.7 t -131.19 129.23 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.121 -0.49 . . . . 73.25 111.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -135.55 131.0 35.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.417 -0.356 . . . . 63.23 111.334 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -62.95 126.16 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 75.24 110.729 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 75.21 111.205 -179.716 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.81 0.338 . . . . 74.44 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.15 153.95 20.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.126 -0.488 . . . . 72.13 111.106 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 mt -139.69 133.41 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.162 -0.472 . . . . 75.25 111.007 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -107.87 127.46 53.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.156 -0.475 . . . . 65.12 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -111.55 112.9 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.214 -0.448 . . . . 62.13 111.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.62 139.91 31.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.45 160.62 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 75.53 111.235 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.1 153.76 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.871 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -62.47 113.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.03 111.072 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.32 176.82 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.53 110.942 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -111.16 -32.73 6.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 73.15 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -27.16 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 73.14 111.028 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 20.5 mt -54.01 -39.08 65.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 72.4 111.027 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.5 -53.68 55.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.337 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.32 -34.42 72.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 63.11 110.259 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.55 -45.06 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 73.14 110.488 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.65 -42.5 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 75.1 110.596 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.443 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.0 -38.21 90.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 74.4 110.393 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -42.83 85.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 75.32 110.78 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.25 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 70.35 110.836 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.97 -30.79 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.715 -0.675 . . . . 75.11 110.538 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.92 62.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.985 -0.552 . . . . 75.2 111.184 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -33.98 55.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.342 -0.39 . . . . 74.53 110.826 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.48 18.47 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 73.12 110.992 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.91 28.62 2.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 75.5 111.17 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.13 93.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 53.42 110.591 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.81 100.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.34 110.682 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 12' ' ' HIS . 5.1 mt -84.48 130.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 75.34 110.426 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' B' ' 47' ' ' THR . 16.8 mt -74.53 -30.47 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.858 0.361 . . . . 74.53 110.27 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.402 ' HB2' ' HB ' ' B' ' 47' ' ' THR . 4.4 m -134.4 131.36 38.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.028 -0.533 . . . . 64.02 110.919 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.76 121.47 20.78 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.005 -0.543 . . . . 74.31 110.31 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 45' ' ' ARG . 37.0 p -158.66 130.17 6.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.767 -0.373 . . . . 72.05 111.706 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.08 108.52 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.143 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.96 154.13 26.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.33 124.5 36.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 4.0 p -102.04 167.79 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.838 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 46.08 -95.14 0.01 OUTLIER Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.943 -0.646 . . . . 71.54 112.747 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.98 -67.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 74.2 110.897 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -98.45 35.98 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 65.54 110.833 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 p -137.34 136.79 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.015 -0.538 . . . . 74.12 111.304 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.57 149.62 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 61.24 111.026 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 19.0 mm -130.12 123.32 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.253 -0.431 . . . . 62.24 111.491 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.07 147.61 29.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 61.43 110.456 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' B' ' 33' ' ' SER . 10.6 ttm-85 -134.97 117.26 15.6 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.344 -0.389 . . . . 75.41 110.355 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -126.11 125.22 42.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.079 0.466 . . . . 74.55 111.434 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' LEU . 25.5 m -113.28 119.38 37.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.754 -0.657 . . . . 74.41 109.752 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -137.78 146.84 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 75.24 111.504 -179.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -88.78 114.52 25.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.95 -0.568 . . . . 73.22 110.843 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 92.3 mtp -149.85 159.64 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 70.1 111.029 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.01 -44.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 74.52 112.449 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.88 109.44 1.99 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.612 0.244 . . . . 63.05 110.872 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.53 -17.39 48.14 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.526 2.15 . . . . 74.11 112.578 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.83 -43.9 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 73.14 111.178 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -77.49 -44.39 28.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.742 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -32.8 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.416 . . . . 53.33 110.085 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.43 -41.78 29.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.711 -0.757 . . . . 72.44 111.8 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -29.68 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 73.44 110.817 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.66 -44.91 96.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.962 0.411 . . . . 60.14 110.928 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -51.63 68.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.863 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.0 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 70.35 110.704 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.21 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.674 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.5 -33.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.951 -0.568 . . . . 74.32 111.132 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -60.41 -29.17 68.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.764 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -74.88 -12.18 60.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.415 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.412 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.0 t -74.28 104.05 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.902 0.382 . . . . 74.32 110.764 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -50.42 120.48 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 70.54 110.895 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.13 19.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 74.01 112.703 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.412 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 58.7 t -75.51 117.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.859 0.361 . . . . 75.03 110.825 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -54.2 14.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 75.41 111.022 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -166.83 169.04 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 71.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.06 138.94 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.135 -0.484 . . . . 72.14 111.006 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.42 132.59 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 71.41 111.298 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -70.32 109.23 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.718 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 86.9 t . . . . . 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 70.32 111.22 -179.774 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.815 0.34 . . . . 75.31 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.35 149.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.141 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.21 164.35 12.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.787 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.8 mm -139.99 131.79 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 120.993 0.425 . . . . 71.33 111.56 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.07 114.3 28.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.86 -0.609 . . . . 71.15 110.046 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -113.53 112.64 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.846 0.355 . . . . 64.13 111.703 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.27 130.47 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.432 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 168.75 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 73.52 111.501 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.31 145.57 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 53.54 111.066 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.5 80.61 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 71.14 111.253 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.43 141.42 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.719 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CE1' HG23 ' B' ' 19' ' ' THR . 55.2 t60 -68.31 -26.02 65.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 72.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -55.72 -34.3 65.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 72.34 110.769 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.83 -47.19 78.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.629 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.34 -50.71 72.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 74.45 110.673 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 p -60.71 -37.45 81.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.851 -0.613 . . . . 64.41 110.572 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.79 -43.89 82.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.508 . . . . 74.11 110.698 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.42 -37.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 75.21 110.709 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.7 m -68.8 -36.62 78.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 72.25 110.415 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -62.82 -37.56 87.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 73.3 110.636 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.58 85.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.016 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.8 mt -65.15 -51.15 62.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 75.54 110.821 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.76 76.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.961 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.99 -30.67 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.871 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.14 18.43 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.53 111.178 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 57.17 38.47 28.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.348 . . . . 53.02 111.113 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 t -91.18 128.65 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.016 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -89.06 118.82 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.02 110.982 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.31 137.2 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 73.12 111.103 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.74 -37.1 14.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.918 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m -163.91 163.55 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.51 111.159 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.87 139.96 9.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.239 -0.437 . . . . 74.05 111.245 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 1.1 m -163.79 143.24 8.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.13 -0.486 . . . . 71.53 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.9 p -130.94 139.51 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.934 0.397 . . . . 74.4 111.344 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.3 p -136.69 154.04 50.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.965 -0.561 . . . . 73.22 110.857 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.3 p -59.83 121.42 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.896 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 t -77.68 -34.2 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.51 110.836 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.82 -85.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.914 -0.66 . . . . 61.22 112.255 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.29 -77.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 74.35 110.547 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.56 33.4 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.1 0.476 . . . . 75.1 110.256 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.46 147.25 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.607 -0.724 . . . . 74.23 111.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.9 124.61 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.01 111.053 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 tt -91.16 123.41 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.284 -0.416 . . . . 75.33 111.074 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.09 147.53 24.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.829 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -143.84 122.75 12.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 72.22 110.48 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 14.4 p90 -141.77 140.16 32.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.082 0.467 . . . . 72.43 111.485 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.6 m -105.58 134.54 48.53 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.793 -0.64 . . . . 74.21 110.446 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 129.92 12.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.329 -0.396 . . . . 74.22 111.13 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.79 132.7 34.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 65.5 110.951 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.9 mmt -149.91 165.17 33.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 73.44 110.99 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.56 -38.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.495 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.53 111.58 10.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.584 0.23 . . . . 72.15 110.842 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.19 -27.8 34.73 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.41 2.073 . . . . 73.44 112.366 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -38.52 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.937 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -39.21 45.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 71.35 110.697 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -34.91 68.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.214 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.8 -38.79 30.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.662 -0.78 . . . . 74.1 111.848 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -77.18 -27.76 53.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 71.33 110.882 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.83 -44.13 94.2 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.01 0.434 . . . . 71.53 110.879 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.6 -50.98 71.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.934 -0.575 . . . . 71.12 110.84 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -60.92 -35.63 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 75.44 110.698 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.09 92.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.73 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.4 -32.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.91 -0.586 . . . . 74.43 111.114 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -30.05 69.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 71.53 110.778 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.61 -5.49 50.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.225 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.98 104.06 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.881 0.372 . . . . 74.54 110.781 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -50.43 120.3 4.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.805 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -22.07 23.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 72.24 112.473 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.81 129.97 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.91 0.386 . . . . 72.24 111.091 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -56.49 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 63.24 111.312 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -166.72 169.19 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 73.2 111.21 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.26 139.63 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 73.25 111.469 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.34 122.69 21.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.328 -0.396 . . . . 63.23 111.189 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.62 110.45 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 75.24 111.035 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.7 t . . . . . 0 N--CA 1.452 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.968 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.738 0.304 . . . . 74.44 111.202 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -106.43 156.22 18.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.069 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.422 HD13 ' CE2' ' B' ' 48' ' ' PHE . 3.1 mp -140.93 131.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.306 -0.407 . . . . 75.25 111.46 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.06 114.86 29.31 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.2 -0.454 . . . . 65.12 110.708 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.78 112.91 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.366 -0.379 . . . . 62.13 111.346 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.5 130.41 43.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.781 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.71 151.73 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 75.53 111.182 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 47.4 mt -57.13 143.4 38.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.988 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.51 93.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -127.33 179.31 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -101.01 -30.07 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.41 18.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.12 -43.81 82.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.35 -0.386 . . . . 72.4 110.965 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.75 -54.13 48.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 73.21 110.666 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -60.06 -32.02 70.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 63.11 110.637 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.3 -43.78 80.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 73.14 110.682 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.407 HG11 ' CE1' ' B' ' 46' ' ' PHE . 33.6 t -65.38 -45.1 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.74 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -69.67 -39.17 77.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.801 -0.636 . . . . 74.4 110.099 179.412 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.703 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.45 77.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 70.35 110.653 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.33 -33.33 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.751 -0.658 . . . . 75.11 110.596 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.4 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 75.2 111.125 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.03 -38.6 68.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 74.53 110.871 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.62 18.73 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.12 110.95 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt 54.33 24.65 5.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.331 -0.395 . . . . 75.5 111.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.91 91.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 53.42 110.586 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -63.96 100.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 74.34 111.06 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.413 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -89.46 131.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 75.34 110.172 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.6 mt -74.39 -25.02 59.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 74.53 110.699 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.1 t -137.79 136.09 36.9 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.103 -0.499 . . . . 64.02 110.616 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.51 121.5 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 74.31 110.285 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 86.6 p -160.13 129.8 5.23 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.039 0.447 . . . . 72.05 111.794 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -131.19 119.8 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.941 -0.572 . . . . 74.14 111.065 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -136.5 153.99 50.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.033 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 19.1 p -77.62 140.77 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.931 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 t -132.57 97.53 4.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.905 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.07 -116.23 5.2 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.773 -0.727 . . . . 71.54 112.523 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -137.77 113.15 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 74.2 110.927 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 63.04 40.96 8.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 65.54 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 t -137.19 112.71 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.12 111.094 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.21 115.8 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 61.24 111.143 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.432 HD11 HG23 ' B' ' 43' ' ' ILE . 20.7 mm -99.38 113.16 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.116 -0.493 . . . . 62.24 111.241 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.41 150.08 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.778 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -137.62 129.49 28.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.302 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' B' ' 31' ' ' SER . 88.6 m-85 -139.77 125.45 19.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.002 0.43 . . . . 74.55 111.588 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LEU . 92.8 m -117.59 115.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.893 -0.594 . . . . 74.41 110.013 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' B' ' 4' ' ' ILE . 2.7 p90 -130.97 168.42 17.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.959 0.409 . . . . 75.24 111.754 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.4 112.04 17.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.825 -0.625 . . . . 73.22 110.958 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 10.4 ttp -149.93 149.04 29.83 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.389 . . . . 70.1 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.48 -39.06 3.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 74.52 112.483 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' B' ' 55' ' ' HIS . 0.5 OUTLIER -60.43 110.4 2.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.565 0.222 . . . . 63.05 110.836 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.82 -28.67 11.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.502 2.135 . . . . 74.11 112.472 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.36 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.19 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' B' ' 52' ' ' ASP . 15.0 m-70 -77.15 -44.38 30.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.525 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.431 ' HA ' ' CD2' ' B' ' 59' ' ' LEU . 4.2 pp -74.7 -33.39 62.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 53.33 109.884 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.3 -34.39 54.85 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.623 -0.799 . . . . 72.44 111.474 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.11 -44.51 53.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.838 0.351 . . . . 73.44 110.963 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' B' ' 56' ' ' LEU . 3.8 pp -66.48 -38.97 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 60.14 110.601 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mt -59.53 -52.08 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 72.13 110.407 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -62.39 -37.4 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 70.35 110.242 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.7 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 62.43 110.659 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.4 t -55.91 -35.2 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 74.32 111.15 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -58.84 -28.61 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -77.92 -5.03 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 73.03 111.488 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.434 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 30.2 t -72.94 104.16 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.857 0.361 . . . . 74.32 110.603 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -49.78 120.11 4.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 70.54 110.867 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.25 18.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.845 -0.693 . . . . 74.01 112.706 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.434 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 55.4 t -80.61 122.67 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.851 0.358 . . . . 75.03 110.862 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -60.63 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.907 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.79 169.13 13.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.833 -0.621 . . . . 71.54 110.972 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -126.59 140.77 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.193 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -135.27 126.74 28.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.41 111.171 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -69.81 109.24 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.894 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 1.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 70.32 110.807 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.917 0.389 . . . . 75.31 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.25 149.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.35 111.174 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.69 165.35 11.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.968 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.414 HD13 ' CE2' ' A' ' 48' ' ' PHE . 29.0 mt -142.68 131.97 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.892 0.377 . . . . 71.33 111.391 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.38 106.38 16.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.149 -0.478 . . . . 71.15 110.621 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 t -102.62 112.72 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.355 -0.384 . . . . 64.13 111.391 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.59 125.2 34.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 72.24 110.449 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.4 159.56 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 73.52 111.316 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.7 mt -50.34 146.45 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 53.54 110.968 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -66.24 76.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 111.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -142.23 122.44 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.727 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.429 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 29.1 t60 -58.55 -28.1 65.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 72.33 110.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.29 67.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 72.34 110.697 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.91 -45.65 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 74.31 110.685 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.68 -47.29 85.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.986 -0.552 . . . . 74.45 110.576 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -62.17 -40.24 95.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.866 -0.606 . . . . 64.41 110.503 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 74.11 110.557 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.2 t -67.73 -37.27 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 75.21 110.816 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -67.05 -38.88 86.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 72.25 110.441 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -61.32 -40.63 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 73.3 110.634 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.38 85.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 74.43 110.944 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.5 -51.84 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.832 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.989 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.78 -30.55 71.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 72.31 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.79 15.29 25.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.183 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt 58.22 48.49 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 53.02 110.953 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.31 110.31 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.082 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.63 115.39 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 63.02 110.874 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mt -96.16 129.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.12 111.064 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.15 -33.39 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 72.1 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -173.25 171.55 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 72.51 110.939 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.77 147.98 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 74.05 111.184 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -163.65 131.46 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.7 p -130.73 138.39 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.4 111.305 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 p -136.65 153.98 50.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.916 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.3 p -78.6 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.961 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -81.14 -28.94 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.973 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.61 -134.57 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.664 -0.779 . . . . 61.22 112.66 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.19 117.36 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 74.35 110.972 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 54.3 34.88 21.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 75.1 111.002 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -137.43 107.64 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.806 -0.634 . . . . 74.23 110.993 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.92 121.46 45.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.01 111.346 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.6 mm -89.83 110.9 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.05 -0.523 . . . . 75.33 110.902 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.04 138.43 35.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.125 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 117.19 26.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.972 -0.558 . . . . 72.22 110.49 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.18 125.47 52.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.206 -0.452 . . . . 72.43 111.367 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -110.79 118.07 35.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.976 -0.556 . . . . 74.21 110.589 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CE2' HD13 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -150.74 169.42 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 74.22 111.118 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.71 160.36 17.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 65.5 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.13 160.64 15.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.231 -0.441 . . . . 73.44 110.969 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.92 -54.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.656 -0.783 . . . . 74.22 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.42 100.34 29.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.572 0.225 . . . . 72.15 110.983 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.78 -32.28 55.19 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.43 2.086 . . . . 73.44 112.369 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -64.49 -34.66 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 72.32 110.969 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -77.51 -42.83 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.668 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tt -72.62 -32.7 66.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.165 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.08 -43.7 32.28 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.709 -0.758 . . . . 74.1 111.876 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 71.33 110.7 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mt -63.52 -46.95 83.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 71.53 110.828 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.03 -49.87 75.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 71.12 110.795 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -39.11 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.638 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.71 95.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 71.12 110.708 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.35 -30.57 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.986 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -60.84 -28.76 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.839 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -83.18 2.8 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.517 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.97 104.2 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 120.875 0.369 . . . . 74.54 110.793 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.93 120.46 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.499 . . . . 74.1 110.631 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.31 -21.93 23.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 72.24 112.655 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -86.59 123.1 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.24 111.168 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.55 -56.04 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.286 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -165.93 169.17 15.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.989 -0.551 . . . . 73.2 111.092 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.413 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 22.8 t -129.72 138.43 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.139 -0.482 . . . . 73.25 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -135.53 126.54 27.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.26 -0.427 . . . . 63.23 111.142 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -64.33 110.56 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 75.24 110.785 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.7 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 75.21 111.239 -179.895 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.404 ' CG1' ' CD ' ' B' ' 74' ' ' ARG . 29.1 t . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.914 0.388 . . . . 74.44 111.169 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -100.73 153.01 19.8 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.95 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -133.31 131.93 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.296 -0.411 . . . . 75.25 111.411 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -106.06 104.88 14.69 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.61 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.55 113.05 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.29 -0.413 . . . . 62.13 111.552 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -95.52 139.23 32.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.093 -0.503 . . . . 75.13 110.8 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.32 163.1 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 75.53 111.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.4 144.27 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.7 88.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -138.78 143.3 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 62.53 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -68.21 -29.89 68.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 73.15 111.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -80.16 -37.65 32.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 73.14 111.003 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.3 -39.67 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.846 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.89 -56.36 22.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 73.21 110.339 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.56 -30.04 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 63.11 110.182 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.7 -48.08 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.394 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 t -64.95 -41.35 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.569 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -39.79 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 74.4 110.259 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -68.97 -37.88 79.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.634 . . . . 75.32 110.738 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.81 77.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -84.68 -30.13 25.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 75.11 110.834 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -36.59 76.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 75.2 111.442 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -57.32 -25.16 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.073 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.82 9.85 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 73.12 111.142 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 55.14 23.73 5.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.768 0.318 . . . . 75.5 111.116 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.18 93.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 53.42 110.696 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -64.07 100.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.432 HD12 ' CD2' ' B' ' 46' ' ' PHE . 5.9 mt -89.35 128.25 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.418 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' B' ' 47' ' ' THR . 2.8 mt -74.46 -28.82 61.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 74.53 110.304 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.98 131.4 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.026 -0.534 . . . . 64.02 110.729 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.41 121.56 17.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.305 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.46 133.71 7.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.974 0.416 . . . . 72.05 111.889 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -131.21 123.44 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 74.14 110.969 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -136.59 153.99 50.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.061 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -72.6 134.58 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 73.42 110.951 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.57 -47.18 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 74.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.33 -103.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.672 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.05 115.55 29.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 74.2 111.108 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 53.87 36.7 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 65.54 111.205 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.4 107.57 5.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 74.12 111.091 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.11 127.25 47.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 61.24 111.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mm -103.88 122.33 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 62.24 111.425 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.57 148.49 25.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 61.43 110.567 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -134.95 121.75 20.93 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.431 -0.35 . . . . 75.41 110.604 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' B' ' 29' ' ' ILE . 74.1 m-85 -129.37 125.26 36.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.021 0.438 . . . . 74.55 111.344 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.472 ' O ' ' N ' ' B' ' 30' ' ' LEU . 68.4 m -115.23 119.83 37.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.855 -0.611 . . . . 74.41 110.047 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -136.11 151.34 49.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.88 0.372 . . . . 75.24 111.572 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -102.64 111.96 24.5 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.907 -0.588 . . . . 73.22 110.871 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 20.8 mtt -149.91 165.85 31.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 70.1 111.041 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.68 -42.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 74.52 112.505 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.81 107.22 0.82 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.582 0.23 . . . . 63.05 111.029 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.98 -26.49 74.08 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.584 2.19 . . . . 74.11 112.327 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -33.38 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 73.14 111.034 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -77.45 -44.5 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 74.11 110.721 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.28 -32.82 69.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.939 0.4 . . . . 53.33 110.157 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.93 -40.05 31.58 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.751 -0.737 . . . . 72.44 111.831 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 73.44 110.803 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.71 -47.23 84.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.331 -0.395 . . . . 60.14 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -46.47 89.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.76 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -61.94 -39.02 90.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 70.35 110.718 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -44.74 88.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 62.43 110.651 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.08 -32.01 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 74.32 110.965 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.73 -28.95 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.719 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -82.04 1.18 37.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.259 -0.428 . . . . 73.03 111.526 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.433 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.4 t -81.51 104.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.981 0.42 . . . . 74.32 110.73 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.5 120.69 6.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 70.54 110.809 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.16 19.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.713 . . . . 74.01 112.777 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.433 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 61.9 t -79.11 123.08 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 120.863 0.363 . . . . 75.03 110.764 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.66 -59.61 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 75.41 111.048 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -166.7 169.15 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.942 -0.572 . . . . 71.54 111.133 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.94 135.07 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.956 -0.565 . . . . 72.14 111.13 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.3 125.34 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 71.41 111.355 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.404 ' CD ' ' CG1' ' B' ' 2' ' ' VAL . 8.0 ttp180 -65.77 117.29 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.514 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 70.32 111.2 -179.775 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.854 0.359 . . . . 75.31 111.232 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.22 146.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.35 111.238 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.61 163.44 13.46 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.999 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.9 mt -144.27 132.31 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.934 0.397 . . . . 71.33 111.552 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -107.15 105.68 15.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.048 -0.524 . . . . 71.15 110.536 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.61 112.65 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.258 -0.428 . . . . 64.13 111.291 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -89.54 128.54 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.642 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.35 165.0 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.985 0.421 . . . . 73.52 111.443 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.0 mt -51.94 144.32 11.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 53.54 111.053 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -63.94 83.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.14 111.098 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -153.51 127.56 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.852 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.448 ' CE1' ' CG2' ' B' ' 19' ' ' THR . 60.9 t60 -60.11 -28.93 68.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 72.33 110.877 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -38.01 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 72.34 110.824 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.39 -41.28 98.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 74.31 110.827 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.55 -47.78 84.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 74.45 110.586 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 t -61.47 -41.04 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.867 -0.606 . . . . 64.41 110.546 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.76 -41.53 99.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.723 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.74 -39.68 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 75.21 110.826 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -66.14 -38.62 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 72.25 110.506 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.48 -42.04 99.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 73.3 110.647 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.44 87.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.955 -0.566 . . . . 74.43 110.87 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.98 -49.81 64.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.809 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.961 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.78 -30.47 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.833 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.38 22.43 14.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.53 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? 58.78 41.56 21.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 53.02 111.016 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 t -94.02 128.48 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.21 112.45 25.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.846 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.47 135.23 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.144 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -85.51 -34.64 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.922 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 t -173.21 162.92 4.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 72.51 111.077 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.13 154.71 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 74.05 111.01 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.2 t -163.61 130.63 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 71.53 110.91 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.6 p -112.88 136.99 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.455 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 p -136.63 154.04 50.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.084 -0.507 . . . . 73.22 110.783 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -58.23 121.75 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 71.24 110.985 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.57 -36.94 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 63.51 110.807 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.93 -89.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.853 -0.689 . . . . 61.22 112.295 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.23 -78.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 74.35 110.638 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 33.05 2.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.108 0.48 . . . . 75.1 110.172 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 p -137.46 141.17 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.651 -0.704 . . . . 74.23 111.233 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.63 123.66 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.075 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.5 tp -89.99 120.41 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.269 -0.423 . . . . 75.33 111.131 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -98.1 125.26 43.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.884 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.14 148.29 23.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.595 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -145.32 149.69 35.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.996 0.427 . . . . 72.43 111.187 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.2 m -145.55 122.86 11.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 74.21 110.537 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.73 131.99 14.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.334 -0.394 . . . . 74.22 111.213 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.9 115.84 26.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.118 -0.492 . . . . 65.5 110.836 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.99 165.78 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.923 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.76 -40.64 0.9 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 74.22 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.04 109.84 2.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.529 0.205 . . . . 72.15 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.76 -15.96 18.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.437 2.091 . . . . 73.44 112.721 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -43.81 97.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.379 . . . . 72.32 111.118 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.408 ' ND1' ' N ' ' A' ' 56' ' ' LEU . 13.9 p80 -77.77 -34.12 52.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.732 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' N ' ' ND1' ' A' ' 55' ' ' HIS . 53.4 tp -73.51 -36.05 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 75.0 110.144 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.0 29.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.722 -0.752 . . . . 74.1 111.756 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -80.39 -24.3 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.721 0.296 . . . . 71.33 110.979 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.31 -44.87 84.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.86 0.362 . . . . 71.53 110.967 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.96 -49.73 76.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.042 -0.527 . . . . 71.12 110.961 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.44 -37.37 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 75.44 110.717 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.28 74.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.754 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.05 -29.73 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 74.43 110.768 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.1 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 71.53 110.514 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -78.37 -3.91 45.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 74.2 111.321 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.96 104.13 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 120.836 0.351 . . . . 74.54 110.827 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.36 121.23 5.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 74.1 110.644 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -23.34 21.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.657 -0.782 . . . . 72.24 112.49 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -86.11 125.21 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.838 0.351 . . . . 72.24 111.05 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -73.63 -54.72 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.24 111.28 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -166.71 169.21 13.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 73.2 111.065 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.19 137.93 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.315 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -135.46 124.26 23.94 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.229 -0.442 . . . . 63.23 110.984 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.71 110.28 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.699 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.261 -179.812 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.902 0.382 . . . . 74.44 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.78 152.31 18.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 72.13 111.172 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.4 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 25.1 mt -133.42 136.48 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 75.25 111.424 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.21 113.02 25.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.817 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -102.63 112.8 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.294 -0.412 . . . . 62.13 111.323 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.86 137.42 32.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.824 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.45 145.32 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 75.53 111.161 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 pp -59.44 147.56 36.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.89 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.69 110.88 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.941 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.43 148.82 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.53 110.903 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -88.46 60.19 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.876 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -177.79 -39.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 73.14 110.897 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 81.4 mt -56.76 -38.91 73.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.477 . . . . 72.4 110.905 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -60.54 -51.42 69.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.095 -0.502 . . . . 73.21 110.579 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -60.45 -35.94 77.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.768 -0.651 . . . . 63.11 110.405 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -43.63 94.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 73.14 110.568 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.03 -46.12 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 75.1 110.614 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.448 ' CG2' ' CE1' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -67.48 -41.38 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 74.4 110.247 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -36.04 74.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.601 . . . . 75.32 110.727 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 70.35 110.704 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -72.41 -34.3 67.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.804 -0.635 . . . . 75.11 110.561 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.047 -0.524 . . . . 75.2 111.146 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.38 -37.71 62.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.923 0.392 . . . . 74.53 110.939 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -99.3 22.27 10.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.855 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 25.41 6.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 75.5 111.292 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.86 88.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 53.42 110.428 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -63.88 100.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 74.34 111.131 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.443 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 7.5 mt -88.11 138.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.62 . . . . 75.34 110.121 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 47' ' ' THR . 5.6 mt -74.53 -23.18 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 74.53 111.03 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.4 OUTLIER -150.22 137.86 19.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.88 0.371 . . . . 64.02 110.916 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.34 121.59 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 74.31 110.355 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 73.7 p -157.98 140.12 14.24 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.876 0.37 . . . . 72.05 111.766 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.14 131.86 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.047 -0.524 . . . . 74.14 111.094 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -136.55 147.56 47.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.31 -0.404 . . . . 74.32 110.983 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -69.66 137.15 51.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.951 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -76.73 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.925 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.6 -94.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.769 . . . . 71.54 112.466 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -111.18 110.96 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 74.2 110.963 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 60.17 40.94 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.949 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.21 139.16 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.155 -0.475 . . . . 74.12 111.205 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.3 143.86 49.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 61.24 111.125 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.471 HD12 HG21 ' B' ' 43' ' ' ILE . 26.8 mt -130.2 117.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.177 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.14 152.05 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.744 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' SER . 12.7 mtm-85 -140.69 122.05 14.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.279 -0.419 . . . . 75.41 110.355 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' B' ' 31' ' ' SER . 74.8 m-85 -127.7 125.32 39.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.964 0.411 . . . . 74.55 111.577 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.441 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.9 m -111.55 115.02 28.48 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.902 -0.59 . . . . 74.41 109.753 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -139.39 171.93 13.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 75.24 111.472 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.89 165.88 14.95 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.871 -0.604 . . . . 73.22 110.616 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.401 ' CG ' ' CD1' ' B' ' 56' ' ' LEU . 3.0 ttp -108.8 161.06 15.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.007 0.432 . . . . 70.1 111.512 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.31 -61.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.8 -0.636 . . . . 74.52 112.111 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.49 103.06 44.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.482 0.182 . . . . 63.05 110.57 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.57 -27.9 82.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.448 2.099 . . . . 74.11 112.463 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.24 -34.38 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 73.14 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -44.38 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 74.11 110.624 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.401 ' CD1' ' CG ' ' B' ' 50' ' ' MET . 4.1 mt -70.06 -32.34 70.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 53.33 110.059 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.43 -44.35 34.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.715 -0.755 . . . . 72.44 111.721 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -31.36 59.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 73.44 110.752 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.3 -47.57 78.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.268 -0.423 . . . . 60.14 111.011 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -49.21 77.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 72.13 110.791 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -61.98 -39.66 92.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 70.35 110.555 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.18 91.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 62.43 110.701 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.69 -31.87 36.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.937 -0.574 . . . . 74.32 111.055 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.36 -29.61 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.826 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -82.46 2.0 34.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.03 111.663 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.4 t -81.79 104.15 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.849 0.357 . . . . 74.32 110.773 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -54.07 119.63 5.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.037 -0.529 . . . . 70.54 110.989 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.17 19.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 74.01 112.735 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.409 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 45.3 t -81.02 124.3 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.773 0.321 . . . . 75.03 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -62.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.911 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.77 169.07 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.032 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.4 ' CG1' ' CG2' ' B' ' 4' ' ' ILE . 21.7 t -120.95 128.69 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.984 -0.553 . . . . 72.14 111.085 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.3 130.18 34.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.346 -0.388 . . . . 71.41 111.156 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.06 123.76 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 73.22 110.85 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 75.9 t . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 70.32 111.183 -179.681 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.926 0.393 . . . . 75.31 111.215 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.29 141.87 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.35 111.194 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.21 152.43 19.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.088 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.429 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 23.5 mt -130.79 132.11 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.421 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -109.37 104.75 13.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.571 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.3 t -104.83 112.82 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.266 -0.424 . . . . 64.13 111.311 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -89.98 130.58 36.16 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.108 -0.497 . . . . 72.24 110.663 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.42 165.24 33.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.339 -0.391 . . . . 73.52 111.17 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.84 145.08 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 53.54 111.117 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -62.57 83.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.132 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -153.5 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.787 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CE1' HG23 ' B' ' 19' ' ' THR . 59.7 t60 -60.66 -26.63 67.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 72.33 110.734 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -56.75 -40.7 76.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 72.34 110.74 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.79 -43.2 89.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 74.31 110.745 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.13 -49.17 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.538 . . . . 74.45 110.578 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 64.41 110.487 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.64 -41.02 96.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.045 -0.525 . . . . 74.11 110.538 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -68.12 -37.73 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 75.21 110.778 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -66.19 -38.21 87.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 72.25 110.482 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.14 -40.32 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 73.3 110.636 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.86 92.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 74.43 110.83 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.57 -47.92 74.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 75.54 110.752 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.09 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -31.73 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.79 20.83 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.53 111.187 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm 57.92 30.6 19.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 53.02 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.79 96.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 74.14 111.05 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.14 110.22 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.934 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -89.22 129.24 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -83.71 -38.13 21.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.887 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 m -173.17 170.92 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.096 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 46' ' ' PHE . . . -168.06 155.21 8.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 74.05 111.217 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.63 134.83 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.776 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 13.5 p -122.97 139.66 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.0 0.429 . . . . 74.4 111.649 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -136.7 132.97 35.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.831 -0.622 . . . . 73.22 110.742 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.4 108.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.24 111.05 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -68.8 0.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 63.51 110.802 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.44 -91.93 1.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.864 -0.684 . . . . 61.22 112.456 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -76.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 74.35 110.802 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 33.11 1.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.054 0.454 . . . . 75.1 110.487 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.46 122.29 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.745 -0.662 . . . . 74.23 111.237 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.81 125.59 46.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 74.01 111.263 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.85 109.53 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 75.33 110.819 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 60.3 p -101.46 123.89 46.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 73.14 111.29 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -99.96 151.04 21.79 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.026 -0.534 . . . . 72.22 110.623 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.433 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 2.4 m-85 -145.76 125.47 13.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.928 0.394 . . . . 72.43 111.177 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -111.8 126.4 55.03 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.044 -0.525 . . . . 74.21 110.681 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 1.6 p90 -150.65 138.47 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 74.22 111.116 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -88.8 112.67 23.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.5 110.936 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.8 mmt -150.01 164.29 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 73.44 110.979 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.23 17.07 4.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.74 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.7 m-20 -106.39 120.93 46.98 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.608 0.242 . . . . 72.15 110.806 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.29 -24.2 2.09 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.564 2.176 . . . . 73.44 112.767 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -44.24 79.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.32 111.363 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 5.3 p-80 -77.73 -39.27 44.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.327 -0.397 . . . . 71.35 110.436 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.71 -32.73 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 75.0 110.016 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -43.25 29.06 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.81 -0.709 . . . . 74.1 111.689 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -71.68 -30.13 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 71.33 110.72 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.65 -43.69 85.13 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.867 0.365 . . . . 71.53 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.57 -48.92 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 71.12 110.858 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.76 -41.53 95.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.62 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.08 99.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 71.12 110.8 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 t -57.17 -30.14 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 74.43 110.901 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -60.34 -30.59 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 71.53 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -78.48 -3.52 43.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 74.2 111.445 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -77.25 104.13 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.853 0.358 . . . . 74.54 110.747 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -53.26 118.88 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.063 -0.517 . . . . 74.1 110.867 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -20.74 25.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.644 -0.789 . . . . 72.24 112.533 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -88.36 127.45 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 120.846 0.355 . . . . 72.24 111.173 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.2 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 63.24 111.192 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -166.74 169.07 13.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 73.2 111.184 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.88 135.39 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.041 -0.527 . . . . 73.25 111.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 128.47 31.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.414 -0.357 . . . . 63.23 111.186 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -69.08 117.39 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.875 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 75.21 111.26 -179.783 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.897 0.38 . . . . 74.44 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.73 154.39 18.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.088 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 mm -137.53 131.91 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.254 -0.43 . . . . 75.25 111.366 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.36 107.45 18.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.105 -0.498 . . . . 65.12 110.52 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.65 112.93 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.29 -0.413 . . . . 62.13 111.41 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -95.97 136.58 36.22 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.785 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.31 152.2 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 75.53 111.061 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.44 148.17 29.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.928 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.87 98.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 73.03 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.27 -169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 62.53 110.94 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -111.68 -29.82 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 73.15 110.993 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -99.6 -25.21 14.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 73.14 111.251 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -54.55 -39.46 67.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.433 -0.349 . . . . 72.4 111.004 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.27 -55.2 37.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.321 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.19 -31.19 68.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.74 -0.663 . . . . 63.11 110.249 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.36 -46.47 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 73.14 110.272 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.58 -42.83 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 75.1 110.526 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.78 -40.98 79.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.601 . . . . 74.4 110.197 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -69.48 -36.54 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 75.32 110.759 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.29 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 70.35 110.71 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -72.41 -30.99 65.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.788 -0.642 . . . . 75.11 110.66 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.48 57.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 75.2 111.069 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.18 -36.93 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 74.53 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.14 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 73.12 110.982 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 25.35 8.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.335 -0.393 . . . . 75.5 111.178 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -59.25 91.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.331 -0.395 . . . . 53.42 110.542 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -63.83 100.33 0.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.971 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.423 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 5.0 mt -88.27 127.98 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 75.34 110.234 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' B' ' 47' ' ' THR . 68.5 mt -74.34 -22.24 59.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 74.53 110.828 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.402 ' CB ' ' HB ' ' B' ' 47' ' ' THR . 0.3 OUTLIER -140.56 134.19 30.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.64 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.68 121.52 16.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.435 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -156.85 128.2 6.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.836 0.351 . . . . 72.05 111.814 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -131.11 121.58 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.087 -0.506 . . . . 74.14 111.048 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 81.0 p -136.63 154.02 50.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.283 -0.417 . . . . 74.32 111.164 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -80.18 129.9 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.838 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.16 -26.52 39.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.144 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.65 -114.12 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.705 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.01 117.59 35.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 74.2 111.163 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 52.75 36.25 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 65.54 111.237 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 9.1 p -137.59 107.55 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 74.12 111.059 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.14 145.72 29.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 61.24 111.152 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.414 HG21 HD12 ' B' ' 43' ' ' ILE . 29.0 mt -130.11 114.23 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.216 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.78 146.98 25.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.738 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -133.19 120.34 21.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.296 -0.411 . . . . 75.41 110.296 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -129.52 125.36 36.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.959 0.409 . . . . 74.55 111.665 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.425 ' O ' ' N ' ' B' ' 30' ' ' LEU . 80.1 m -116.3 115.1 25.31 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.816 -0.629 . . . . 74.41 109.694 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -136.2 171.25 14.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.104 0.478 . . . . 75.24 111.624 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -88.31 125.53 34.72 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.651 -0.704 . . . . 73.22 110.546 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttp -108.97 157.26 18.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.982 0.42 . . . . 70.1 111.449 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.05 -45.72 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.084 -0.579 . . . . 74.52 112.234 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.43 142.02 24.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.623 0.249 . . . . 63.05 110.71 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -77.6 -26.16 7.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.613 2.209 . . . . 74.11 112.618 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.32 -34.56 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.14 111.318 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -77.41 -44.29 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.839 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 tp -73.6 -31.73 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 53.33 110.241 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.22 -42.34 28.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.732 . . . . 72.44 111.9 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -30.67 57.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.834 0.349 . . . . 73.44 110.867 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.85 -47.9 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.423 . . . . 60.14 110.962 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.45 -45.33 94.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 72.13 110.718 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.59 -38.27 89.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 70.35 110.785 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.68 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 62.43 110.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 t -57.67 -31.96 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 74.32 110.927 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -61.16 -28.33 69.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.693 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -81.69 1.0 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.467 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.2 t -79.01 104.17 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 120.85 0.357 . . . . 74.32 110.671 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.53 120.11 5.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 70.54 110.967 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.06 19.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.846 -0.692 . . . . 74.01 112.709 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.413 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 48.5 t -81.32 124.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.776 0.322 . . . . 75.03 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -60.15 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.962 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.78 169.1 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.863 -0.608 . . . . 71.54 110.943 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.8 t -129.31 136.06 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.133 -0.485 . . . . 72.14 111.219 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.3 133.14 38.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.275 -0.421 . . . . 71.41 111.168 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -71.94 112.75 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 N--CA 1.452 -0.374 0 CA-C-N 116.221 -0.445 . . . . 70.32 111.235 -179.906 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.821 0.343 . . . . 75.31 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.6 t -82.25 145.93 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.35 111.156 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.42 162.57 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.25 -0.432 . . . . 74.21 110.989 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.403 HD12 ' CE2' ' A' ' 48' ' ' PHE . 26.6 mt -138.46 132.08 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.33 -0.395 . . . . 71.33 111.377 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -106.81 104.73 14.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.979 -0.555 . . . . 71.15 110.539 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.43 112.75 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.257 -0.429 . . . . 64.13 111.299 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.59 129.18 36.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.655 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.35 166.03 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.381 . . . . 73.52 111.321 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.16 143.33 11.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.54 111.095 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.77 82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 71.14 111.122 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.61 121.84 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.794 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.452 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 44.6 t60 -60.23 -19.69 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 72.33 110.852 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.69 81.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.904 0.383 . . . . 72.34 110.565 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.96 -61.05 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 74.31 110.648 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -36.49 46.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 74.45 110.739 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 p -65.83 -50.16 65.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 64.41 110.379 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.0 -38.72 83.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 74.11 110.611 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.29 -39.51 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 75.21 110.775 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.4 m -64.62 -41.13 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 72.25 110.461 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -60.24 -42.38 95.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.89 -0.595 . . . . 73.3 110.663 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.84 91.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 74.43 110.874 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.98 -52.28 57.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.731 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.09 73.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.968 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.36 -29.8 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.867 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -101.7 20.55 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 72.53 111.085 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt 60.38 40.43 17.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 53.02 111.006 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.45 93.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.102 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -65.11 113.57 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.02 110.929 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -92.91 125.13 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.7 mt -75.64 -37.86 59.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 72.1 110.902 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 171.54 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 72.51 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.84 155.72 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 74.05 111.148 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -163.58 128.91 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 71.53 110.744 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 13.7 p -115.87 141.41 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.977 0.418 . . . . 74.4 111.652 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -136.69 149.0 47.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.951 -0.568 . . . . 73.22 110.715 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 m -69.61 109.5 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.042 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.958 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 -86.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 61.22 112.376 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.77 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 74.35 110.746 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -96.98 32.62 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 75.1 110.357 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.54 130.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.65 -0.704 . . . . 74.23 111.186 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.68 123.63 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.01 111.228 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.6 mt -89.77 109.74 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 75.33 110.846 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 1.1 t -98.06 123.86 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 73.14 111.27 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' CD2' ' A' ' 46' ' ' PHE . 2.8 mpt_? -99.8 148.14 24.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.085 -0.507 . . . . 72.22 110.635 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 21.5 m-85 -146.88 125.54 12.55 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.957 0.408 . . . . 72.43 111.322 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -114.1 121.11 42.79 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.957 -0.565 . . . . 74.21 110.551 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.406 ' CZ ' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -150.87 140.74 21.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.904 0.383 . . . . 74.22 111.272 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.82 125.39 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 65.5 110.843 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.97 165.84 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.44 111.056 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.92 -43.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.83 -0.7 . . . . 74.22 112.429 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.46 121.07 45.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.54 0.209 . . . . 72.15 110.833 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.52 -31.12 9.2 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.411 2.074 . . . . 73.44 112.39 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -64.32 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.917 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -77.56 -44.27 29.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.66 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.406 ' CD2' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 mt -69.96 -33.87 72.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 75.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.07 -40.45 34.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.685 -0.769 . . . . 74.1 111.759 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.69 -31.03 64.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 71.33 110.859 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.24 -46.77 87.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.961 0.41 . . . . 71.53 110.913 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -49.28 77.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 71.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -60.96 -39.19 88.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.743 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 71.12 110.853 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.49 -29.94 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.017 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -61.34 -29.12 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 71.53 110.867 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -81.87 0.83 37.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.414 . . . . 74.2 111.541 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.406 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 21.7 t -79.01 104.21 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 120.901 0.381 . . . . 74.54 110.789 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.28 120.46 6.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 74.1 110.565 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -21.19 24.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 72.24 112.583 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.406 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 47.9 t -87.18 128.14 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 120.778 0.323 . . . . 72.24 111.073 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -77.68 -54.4 6.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 63.24 111.281 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -166.68 169.15 13.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 73.2 111.093 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.2 t -125.07 138.61 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.465 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -135.52 126.39 27.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.149 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 120.95 14.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.9 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.452 -0.362 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.302 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.894 0.378 . . . . 74.44 111.205 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.32 163.39 12.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.056 -0.52 . . . . 72.13 110.997 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 mt -140.58 131.95 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.29 -0.413 . . . . 75.25 111.546 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -108.52 106.22 16.21 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.005 -0.543 . . . . 65.12 110.585 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.5 t -102.45 113.87 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.309 -0.405 . . . . 62.13 111.552 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.8 124.53 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 75.13 110.604 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.34 166.19 26.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.53 111.297 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 76.0 mt -59.13 138.24 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.915 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -60.73 96.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 73.03 110.927 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.59 167.57 19.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 62.53 110.799 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -86.59 -64.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.926 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -26.91 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.85 -40.16 69.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.276 -0.42 . . . . 72.4 110.935 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.03 -53.91 53.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.529 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -58.69 -34.2 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 63.11 110.378 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.2 -45.83 89.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 73.14 110.387 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.421 HG12 ' CZ ' ' B' ' 46' ' ' PHE . 23.7 t -63.37 -44.52 99.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 75.1 110.567 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.445 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.75 -41.09 88.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.635 . . . . 74.4 110.321 179.485 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -68.49 -37.5 80.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 75.32 110.786 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.56 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 70.35 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 78.8 mt -71.39 -32.5 68.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.821 -0.627 . . . . 75.11 110.641 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.13 -25.85 58.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.043 -0.526 . . . . 75.2 111.154 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -37.42 59.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.945 0.402 . . . . 74.53 110.94 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.34 19.62 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 73.12 110.946 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.07 27.13 7.18 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.29 -0.414 . . . . 75.5 111.19 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.45 92.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 53.42 110.549 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -63.88 100.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.856 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.452 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 6.6 mt -87.73 129.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 75.34 110.549 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' B' ' 47' ' ' THR . 78.5 mt -74.58 -31.84 62.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 74.53 109.908 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.97 131.18 40.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.801 -0.636 . . . . 64.02 110.381 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.73 122.0 17.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.559 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.9 p -159.65 135.48 8.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.933 0.397 . . . . 72.05 111.65 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 p -131.13 122.8 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.067 -0.515 . . . . 74.14 111.087 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 11.3 t -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.0 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 21.0 p -61.65 134.52 56.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.93 -35.45 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.896 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.31 -80.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.834 -0.698 . . . . 71.54 112.334 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -135.51 -71.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 74.2 110.682 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -98.67 34.13 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.035 0.445 . . . . 65.54 110.369 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.49 138.98 44.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.681 . . . . 74.12 111.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.31 121.82 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 61.24 111.03 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -105.23 131.43 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.285 -0.416 . . . . 62.24 111.238 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.84 154.78 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 61.43 110.658 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.03 117.55 14.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.313 -0.403 . . . . 75.41 110.461 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.421 ' CZ ' HG12 ' B' ' 18' ' ' VAL . 56.8 m-85 -124.05 125.38 44.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.26 -0.427 . . . . 74.55 111.507 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.484 ' O ' ' N ' ' B' ' 30' ' ' LEU . 39.0 m -113.17 115.3 28.03 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.909 -0.587 . . . . 74.41 110.046 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -132.96 148.99 52.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.944 0.402 . . . . 75.24 111.519 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -95.02 111.98 23.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.788 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 165.73 31.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 70.1 111.089 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.99 15.19 3.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 74.52 112.702 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.65 99.14 23.39 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.578 0.228 . . . . 63.05 110.867 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.16 -25.83 31.1 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.463 2.109 . . . . 74.11 112.43 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' B' ' 58' ' ' HIS . 0.6 OUTLIER -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 73.14 111.093 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -77.53 -44.2 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.685 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.18 -32.27 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.197 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.51 -41.65 29.37 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.733 -0.746 . . . . 72.44 111.851 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' B' ' 54' ' ' LYS . 12.8 m-70 -74.95 -30.77 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.44 110.75 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.54 -49.22 72.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 60.14 110.8 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -49.82 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.931 -0.577 . . . . 72.13 110.727 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -61.94 -33.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 70.35 110.585 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.28 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.43 110.738 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 16.7 t -56.05 -32.16 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.938 -0.573 . . . . 74.32 111.125 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -60.1 -31.34 69.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.735 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -77.06 -7.94 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.03 111.421 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.421 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 19.9 t -76.65 104.17 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 120.851 0.358 . . . . 74.32 110.763 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.97 120.76 5.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.539 . . . . 70.54 110.849 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -24.05 19.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 74.01 112.714 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.421 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 70.3 t -80.4 121.95 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.859 0.361 . . . . 75.03 110.959 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.86 -59.04 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 75.41 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.88 169.06 13.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 71.54 111.186 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.5 140.0 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.887 -0.597 . . . . 72.14 111.092 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -135.25 122.98 22.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.296 -0.411 . . . . 71.41 111.199 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -65.38 110.12 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.803 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.199 -179.82 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.834 0.35 . . . . 75.31 111.083 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -82.35 139.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 73.35 111.118 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.63 157.45 17.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.992 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mm -136.89 131.97 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.27 -0.423 . . . . 71.33 111.399 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.52 114.42 28.52 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.017 -0.538 . . . . 71.15 110.354 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.39 112.87 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.833 0.349 . . . . 64.13 111.705 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -95.99 107.92 20.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.526 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.17 169.04 18.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.844 0.354 . . . . 73.52 111.467 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.2 tp -54.83 153.7 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 53.54 111.045 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -66.57 79.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 71.14 111.246 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.57 133.92 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.639 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' B' ' 22' ' ' LEU . 0.5 OUTLIER -68.02 -13.33 62.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.306 . . . . 72.33 111.187 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -29.36 65.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 72.34 110.831 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.51 -60.27 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 74.31 110.804 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -37.26 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.605 . . . . 74.45 110.698 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.4 ' CB ' ' CG2' ' B' ' 19' ' ' THR . 6.6 p -67.13 -41.0 86.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.529 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 74.11 110.563 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.64 -38.24 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 75.21 110.679 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.7 m -65.81 -37.39 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.547 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -60.5 -40.49 91.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.982 -0.554 . . . . 73.3 110.679 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.4 88.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.04 -48.71 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 75.54 110.826 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.09 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 73.12 111.105 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.31 -30.89 68.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.31 110.935 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -102.88 21.68 15.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.164 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.94 39.14 29.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.039 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.41 107.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.111 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.29 126.81 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 63.02 110.966 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.31 131.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.177 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -75.14 -36.66 61.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.12 164.87 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.51 111.039 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -159.51 146.84 16.95 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.267 -0.424 . . . . 74.05 111.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -163.59 138.63 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 71.53 110.852 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.94 143.12 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.423 -0.353 . . . . 74.4 111.421 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -136.76 154.03 50.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.22 110.877 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 p -75.89 114.06 14.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 71.24 111.092 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -38.45 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 63.51 111.253 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.33 74.59 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.493 -0.86 . . . . 61.22 112.928 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 63.17 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 74.35 111.593 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.56 31.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 75.1 111.232 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -137.82 139.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 74.23 110.957 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.71 115.76 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 74.01 111.418 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mt -89.93 109.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 75.33 110.707 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.81 141.67 30.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.839 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -143.84 121.96 12.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.099 -0.501 . . . . 72.22 110.459 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 18.7 p90 -143.47 139.13 29.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.983 0.421 . . . . 72.43 111.629 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -106.46 137.86 43.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.864 -0.607 . . . . 74.21 110.595 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.93 169.67 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 74.22 111.061 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.73 165.7 14.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 65.5 110.87 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.95 165.76 31.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.976 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.86 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.558 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.86 147.15 33.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 72.15 110.907 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.49 -27.78 10.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.534 2.156 . . . . 73.44 112.434 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -62.17 -36.58 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -43.23 33.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 71.35 110.613 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.32 -33.99 73.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 75.0 110.093 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.05 -40.96 33.49 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.705 -0.76 . . . . 74.1 111.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -74.07 -32.57 63.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 71.33 110.681 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.9 tp -63.33 -47.57 81.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.822 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -47.15 86.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 71.12 110.768 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -62.35 -38.04 88.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.44 110.637 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.28 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.783 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.7 t -57.51 -31.77 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.042 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -62.08 -27.7 69.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.53 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -80.57 -0.99 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 74.2 111.477 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.81 104.16 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.926 0.393 . . . . 74.54 110.695 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -51.63 119.98 4.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 74.1 110.832 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -23.3 21.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.587 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.2 t -85.52 117.53 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.861 0.362 . . . . 72.24 111.098 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.05 -50.83 37.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.031 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.73 168.88 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 73.2 111.219 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -131.53 140.21 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 73.25 111.035 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -135.41 122.25 21.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.362 -0.381 . . . . 63.23 111.217 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.51 111.21 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.863 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.9 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 75.21 111.167 -179.825 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.736 0.303 . . . . 74.44 111.279 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -126.59 157.53 38.62 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.937 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.3 mt -132.87 132.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 75.25 111.431 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.72 104.73 13.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.168 -0.469 . . . . 65.12 110.501 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.83 112.91 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 120.868 0.365 . . . . 62.13 111.648 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.43 134.16 35.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.546 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.27 160.25 35.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 75.53 111.39 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.89 153.73 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 73.32 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -70.11 65.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.072 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -112.98 129.62 56.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 62.53 110.944 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -28.31 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 73.15 111.028 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -29.5 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.938 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.16 -51.53 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 72.4 110.943 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 tp -56.44 -49.51 74.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 73.21 110.565 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -61.66 -35.08 76.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.608 . . . . 63.11 110.217 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.3 -44.7 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.298 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.8 -51.87 64.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 75.1 110.592 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.4 ' CG2' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -62.35 -32.58 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 74.4 110.142 179.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -45.89 74.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.056 -0.52 . . . . 75.32 110.551 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.49 -43.99 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 70.35 110.453 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 17.3 mt -77.14 -27.59 53.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 75.11 110.329 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.14 75.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 75.2 110.941 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.66 -30.71 22.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.809 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' B' ' 55' ' ' HIS . 5.7 mm-40 -111.07 -13.35 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.972 -0.558 . . . . 73.12 110.985 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt 67.08 38.79 3.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.877 0.37 . . . . 75.5 110.998 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.438 ' CG1' ' CD1' ' B' ' 48' ' ' PHE . 32.0 t -60.92 107.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 53.42 110.493 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.87 102.04 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.104 0.478 . . . . 74.34 110.829 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 7.2 mt -85.48 133.21 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.662 -0.699 . . . . 75.34 110.308 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 47' ' ' THR . 28.3 mt -74.44 -25.2 59.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 74.53 110.686 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.0 OUTLIER -150.91 131.4 13.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.633 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.21 121.57 19.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.51 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -157.41 142.71 17.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.926 0.393 . . . . 72.05 111.648 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.0 p -131.16 136.91 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.252 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.3 p -136.62 153.75 50.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.932 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.9 p -78.84 123.65 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.42 110.941 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -67.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.976 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.66 -99.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 71.54 112.542 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -105.84 110.32 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 74.2 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.77 39.53 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.18 136.66 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.12 111.17 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.13 144.04 50.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 61.24 111.15 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.8 mt -130.06 113.85 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.258 -0.428 . . . . 62.24 111.275 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 5.1 p -97.96 147.67 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.43 110.714 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -133.78 121.07 21.33 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.327 -0.397 . . . . 75.41 110.345 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' B' ' 31' ' ' SER . 63.2 m-85 -125.06 125.25 43.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.986 0.422 . . . . 74.55 111.53 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 55.9 m -112.47 115.21 28.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.888 -0.596 . . . . 74.41 109.7 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.438 ' CD1' ' CG1' ' B' ' 27' ' ' VAL . 0.7 OUTLIER -147.53 162.09 39.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.096 0.474 . . . . 75.24 111.784 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 152.05 22.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.708 -0.678 . . . . 73.22 110.526 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.413 ' HG2' ' CE1' ' B' ' 48' ' ' PHE . 0.4 OUTLIER -149.96 148.38 29.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.929 0.395 . . . . 70.1 111.26 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.33 -36.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.806 -0.711 . . . . 74.52 112.346 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.39 128.53 28.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.536 0.208 . . . . 63.05 110.823 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.93 -12.54 21.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.509 2.14 . . . . 74.11 112.632 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.01 -43.32 79.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 73.14 111.112 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.423 ' CE1' ' HG3' ' B' ' 25' ' ' GLU . 3.1 t-160 -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.72 -32.43 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 53.33 110.281 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.55 -39.94 28.72 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.674 -0.774 . . . . 72.44 111.928 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -78.26 -29.36 48.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.729 0.299 . . . . 73.44 110.878 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 tp -64.48 -46.29 83.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.903 0.382 . . . . 60.14 110.916 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.98 -51.25 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.962 -0.563 . . . . 72.13 110.727 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.39 -37.08 82.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 70.35 110.593 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.09 96.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 62.43 110.683 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.22 -32.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 74.32 111.099 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -59.67 -30.43 68.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.813 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -75.03 -7.15 52.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 73.03 111.368 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.425 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 27.4 t -74.98 104.17 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 120.832 0.348 . . . . 74.32 110.632 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -51.19 120.09 4.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.057 -0.52 . . . . 70.54 110.89 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.16 19.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 74.01 112.777 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.425 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 60.7 t -80.85 121.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 75.03 111.01 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -68.65 -58.53 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.066 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.86 169.07 13.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 71.54 111.132 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.29 131.73 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.056 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.41 124.22 23.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.329 -0.396 . . . . 71.41 111.042 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.56 121.8 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.824 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 70.32 111.176 -179.796 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.881 0.372 . . . . 75.31 111.181 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 t -82.3 138.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 73.35 111.248 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.6 160.93 14.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.961 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.416 HD12 ' CE2' ' A' ' 48' ' ' PHE . 20.8 mt -135.86 132.03 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.332 -0.395 . . . . 71.33 111.494 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -106.35 104.81 14.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.545 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -105.01 112.74 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.376 -0.374 . . . . 64.13 111.548 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.38 126.45 38.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.447 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 69' ' ' VAL . . . -156.5 167.61 29.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.389 . . . . 73.52 111.602 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.17 153.72 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 53.54 111.061 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.37 81.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 71.14 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -149.49 125.89 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.799 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' B' ' 26' ' ' LYS . 0.3 OUTLIER -58.84 -27.67 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.404 -0.362 . . . . 72.33 111.073 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.257 -0.429 . . . . 72.34 111.09 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.827 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.92 -41.62 99.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.542 . . . . 74.45 110.607 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -65.7 -38.35 88.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.887 -0.597 . . . . 64.41 110.509 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -42.73 88.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.642 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 t -66.22 -41.28 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 75.21 110.89 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 m -67.13 -37.31 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 72.25 110.619 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -65.39 -38.38 89.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 73.3 110.791 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.6 98.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 74.43 110.966 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.5 mt -67.64 -46.78 71.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.882 -0.599 . . . . 75.54 110.867 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.74 -28.7 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.119 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.49 -31.12 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 72.31 110.949 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -106.22 25.69 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 72.53 110.99 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.55 30.57 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 53.02 111.102 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 t -79.22 96.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 74.14 111.09 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 117.1 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 63.02 110.913 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.83 130.77 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.025 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -40.55 59.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.743 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 p -173.2 164.94 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.507 . . . . 72.51 110.924 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 46' ' ' PHE . . . -163.37 150.84 12.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 74.05 111.271 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -163.76 138.62 6.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 71.53 110.824 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 35' ' ' THR . 11.7 p -130.95 141.14 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.392 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -130.5 145.41 51.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.838 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -66.52 106.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.24 111.037 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -37.69 75.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 63.51 110.949 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.69 -113.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.644 -0.789 . . . . 61.22 112.6 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -91.75 113.26 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 74.35 111.058 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 53.07 35.15 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.1 111.05 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.53 128.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 74.23 111.046 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.66 119.74 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.01 111.202 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.8 mt -89.72 113.12 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 75.33 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 t -97.99 137.61 36.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 73.14 110.96 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -123.41 120.38 32.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 72.22 110.492 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.409 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 51.5 m-85 -108.95 156.69 19.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.943 0.401 . . . . 72.43 111.366 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.2 m -140.47 116.64 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 74.21 110.463 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 4' ' ' ILE . 1.3 p90 -150.73 132.44 14.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.064 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.85 116.0 26.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.179 -0.464 . . . . 65.5 110.918 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.2 mmt -149.97 165.85 31.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.985 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.75 -47.46 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.491 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 1.3 m-20 -57.78 110.19 2.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.611 0.244 . . . . 72.15 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 82.7 Cg_endo -77.81 -0.86 11.05 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.421 2.081 . . . . 73.44 112.896 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -76.49 -41.43 47.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 72.32 111.451 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 30.8 p80 -77.32 -44.39 29.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 71.35 110.932 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.408 ' N ' ' ND1' ' A' ' 55' ' ' HIS . 3.5 pp -73.77 -28.65 61.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.984 0.421 . . . . 75.0 110.089 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.64 -46.61 18.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.766 -0.73 . . . . 74.1 111.798 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.2 -30.9 62.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.791 0.329 . . . . 71.33 110.658 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.34 -39.24 82.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.758 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -51.3 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 71.12 110.697 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -61.42 -39.75 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.442 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.53 87.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 71.12 110.653 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.06 -30.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 74.43 110.835 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -58.38 -32.96 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.726 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -9.37 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 74.2 111.276 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.18 104.1 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.85 0.357 . . . . 74.54 110.714 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.61 120.19 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 74.1 110.819 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -23.35 21.2 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.783 -0.722 . . . . 72.24 112.485 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 52.0 t -85.54 119.01 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.847 0.356 . . . . 72.24 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -72.01 -53.23 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 63.24 111.142 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -166.73 169.17 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.134 -0.485 . . . . 73.2 111.245 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.55 136.33 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.092 -0.504 . . . . 73.25 111.243 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -135.39 124.31 24.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.316 -0.402 . . . . 63.23 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -65.39 114.41 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.823 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.21 111.31 -179.904 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 36.0 t . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.85 0.357 . . . . 74.44 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -102.43 156.99 17.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.219 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -137.48 132.18 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.213 -0.449 . . . . 75.25 111.274 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.63 108.87 20.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.588 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -102.56 112.88 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.273 -0.421 . . . . 62.13 111.355 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.5 137.76 35.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.698 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.49 163.01 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 75.53 111.205 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.27 150.88 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.836 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.34 104.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 73.03 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.95 155.93 40.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 62.53 110.848 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.421 ' CE1' ' HD3' ' B' ' 13' ' ' ARG . 16.9 p80 -87.81 -27.88 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 73.15 111.038 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' B' ' 12' ' ' HIS . 0.0 OUTLIER -86.24 -28.63 23.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 73.14 111.068 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.22 -38.29 68.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 72.4 110.95 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.09 -52.25 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.319 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t -60.07 -35.14 74.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 63.11 110.175 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.1 -45.15 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 73.14 110.436 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.19 -50.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 75.1 110.508 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -32.03 71.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 74.4 110.177 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -65.38 -47.88 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.935 -0.575 . . . . 75.32 110.533 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.46 69.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.595 . . . . 70.35 110.476 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 52.1 mt -75.43 -30.32 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.741 -0.663 . . . . 75.11 110.318 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.19 72.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.014 -0.539 . . . . 75.2 111.044 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.3 -35.81 29.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.073 0.464 . . . . 74.53 110.577 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.26 -18.4 14.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 73.12 110.592 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.492 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 69.63 41.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 75.5 111.071 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.457 ' N ' ' CE1' ' A' ' 12' ' ' HIS . 35.5 t -67.2 109.2 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 53.42 109.997 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -63.83 100.43 0.3 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 74.34 111.147 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' A' ' 12' ' ' HIS . 6.8 mt -87.44 128.66 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.701 -0.681 . . . . 75.34 109.906 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 3.3 mt -74.45 -22.25 59.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.506 -0.315 . . . . 74.53 110.967 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -146.08 133.13 20.31 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.343 -0.39 . . . . 64.02 110.92 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -133.59 121.57 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 74.31 110.094 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 54.5 p -155.91 129.49 8.38 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.661 -0.416 . . . . 72.05 111.942 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.18 128.94 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.023 -0.535 . . . . 74.14 111.057 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.0 p -136.68 154.01 50.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.941 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.6 p -76.78 117.96 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.971 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -59.51 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.036 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.47 -113.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 71.54 112.704 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -86.38 111.6 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 74.2 111.062 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 50.53 36.74 14.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 65.54 111.231 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.44 124.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 74.12 111.179 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.99 144.21 49.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 61.24 110.977 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 16.4 mt -130.11 135.57 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.325 -0.398 . . . . 62.24 111.515 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.71 154.18 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 61.43 110.338 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' SER . 9.0 mmm-85 -138.84 117.29 12.03 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.804 0.335 . . . . 75.41 110.568 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' B' ' 31' ' ' SER . 62.4 m-85 -124.93 125.34 43.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.993 0.425 . . . . 74.55 111.375 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 96.8 m -113.86 115.14 27.25 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.865 -0.607 . . . . 74.41 109.878 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -133.93 171.47 14.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.03 0.443 . . . . 75.24 111.472 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 161.2 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 73.22 110.564 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -109.0 155.11 21.27 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.965 0.412 . . . . 70.1 111.367 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.92 -65.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.938 -0.649 . . . . 74.52 112.234 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.42 142.23 24.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.232 . . . . 63.05 110.789 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.28 -32.1 5.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.531 2.154 . . . . 74.11 112.383 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . 0.415 ' HG2' ' CD2' ' B' ' 58' ' ' HIS . 0.4 OUTLIER -65.38 -29.33 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 73.14 111.073 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -77.42 -44.25 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.772 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.16 -31.3 64.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.405 . . . . 53.33 110.222 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.03 -41.89 26.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.781 -0.723 . . . . 72.44 111.946 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . 0.415 ' CD2' ' HG2' ' B' ' 54' ' ' LYS . 9.4 m-70 -77.49 -28.78 52.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.748 0.309 . . . . 73.44 110.898 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 11.9 mt -63.95 -50.34 69.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.948 0.404 . . . . 60.14 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.6 mt -58.92 -45.56 90.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 72.13 110.8 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.91 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 70.35 110.709 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.31 96.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.864 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.2 -30.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 74.32 110.908 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -61.96 -27.1 68.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 74.12 110.942 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -86.03 8.3 21.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.266 -0.424 . . . . 73.03 111.586 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.401 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 23.4 t -83.55 104.18 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.845 0.355 . . . . 74.32 110.768 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.6 120.25 6.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.041 -0.527 . . . . 70.54 110.813 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.07 -24.04 19.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.782 -0.723 . . . . 74.01 112.766 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.401 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 48.4 t -80.67 121.48 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-O 120.795 0.331 . . . . 75.03 111.078 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -70.23 -52.34 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.092 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -166.77 169.17 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.961 -0.563 . . . . 71.54 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.28 134.89 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.061 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.4 131.23 36.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.428 -0.351 . . . . 71.41 111.254 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.3 117.23 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.727 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.369 -0.378 . . . . 70.32 111.21 -179.723 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.856 0.36 . . . . 75.31 111.189 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.24 149.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 73.35 111.295 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.47 169.54 10.54 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.832 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.2 mm -139.38 132.03 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.333 -0.394 . . . . 71.33 111.473 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -103.41 104.75 14.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.369 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.7 112.76 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 120.925 0.393 . . . . 64.13 111.536 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 127.21 38.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.0 -0.546 . . . . 72.24 110.362 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 69' ' ' VAL . . . -159.34 167.91 27.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 73.52 111.492 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.36 152.67 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 53.54 110.999 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -64.59 81.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.14 111.292 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -153.71 129.85 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.63 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.471 ' CD2' ' CD1' ' B' ' 29' ' ' ILE . 0.1 OUTLIER -60.99 -27.24 68.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.465 -0.334 . . . . 72.33 110.564 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -26.01 23.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.385 -0.371 . . . . 72.34 111.14 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.2 -61.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 74.31 110.925 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -32.54 69.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.006 -0.543 . . . . 74.45 110.459 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -67.39 -43.93 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.565 . . . . 64.41 110.276 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -63.07 -41.47 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.282 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.44 -38.13 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 75.21 110.806 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -66.05 -40.55 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.041 -0.527 . . . . 72.25 110.647 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -38.87 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 73.3 110.795 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -43.36 90.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.15 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.27 -45.34 84.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 75.54 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.68 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 73.12 111.07 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -60.39 -31.27 70.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 72.31 110.952 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.82 22.45 14.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.043 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 56.68 30.02 16.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 53.02 111.139 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -80.25 101.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 74.14 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 122.17 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.965 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.414 HG23 ' CD1' ' A' ' 46' ' ' PHE . 22.3 mt -96.43 130.06 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.3 mt -81.01 -34.66 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 72.1 110.948 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.15 171.51 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 72.51 110.975 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . . . -166.39 146.88 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 74.05 111.218 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -163.68 140.24 6.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 71.53 110.865 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -126.02 146.41 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.864 0.364 . . . . 74.4 111.472 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.857 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.9 p -79.98 109.17 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.975 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -58.3 -35.85 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 63.51 111.05 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.73 -93.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.517 -0.849 . . . . 61.22 112.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.38 112.38 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 74.35 111.452 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.25 36.62 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.009 -0.542 . . . . 75.1 111.56 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.56 121.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 74.23 111.047 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.19 120.17 34.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.158 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.5 mt -93.02 119.66 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.106 -0.497 . . . . 75.33 111.185 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -103.83 141.63 35.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.788 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -124.73 117.21 23.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.65 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -110.74 125.55 53.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.33 -0.395 . . . . 72.43 111.321 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 m -112.49 115.27 28.4 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.073 -0.512 . . . . 74.21 110.567 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -150.93 171.05 17.88 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.357 -0.383 . . . . 74.22 111.238 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -88.81 165.78 14.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 65.5 110.809 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -149.9 148.33 28.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.258 -0.428 . . . . 73.44 111.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.53 -45.9 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.713 . . . . 74.22 112.458 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.0 143.37 26.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.714 0.292 . . . . 72.15 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.33 -27.31 8.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.554 2.169 . . . . 73.44 112.384 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -34.6 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.006 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -77.56 -44.27 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.774 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.55 -32.98 64.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 75.0 110.246 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.12 -39.68 31.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.759 -0.734 . . . . 74.1 111.878 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.76 -30.98 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 71.33 110.75 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mt -61.35 -44.71 96.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 71.53 110.761 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.91 -45.93 90.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 71.12 110.706 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.83 -42.13 98.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.44 110.65 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 71.12 110.824 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.7 t -57.85 -28.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 74.43 110.868 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -62.4 -29.42 70.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.8 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -80.63 -0.66 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 74.2 111.426 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.408 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 23.7 t -75.56 104.09 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.835 0.35 . . . . 74.54 110.834 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -51.68 120.18 4.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.581 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.28 -20.98 25.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.661 -0.781 . . . . 72.24 112.626 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.409 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 60.3 t -86.88 126.27 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.874 0.368 . . . . 72.24 111.114 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -79.51 -48.17 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 63.24 111.314 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -166.68 166.48 15.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.2 111.111 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 t -131.55 134.78 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.254 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -135.47 122.56 21.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.3 -0.409 . . . . 63.23 110.981 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.49 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 75.24 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 t . . . . . 0 N--CA 1.454 -0.275 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.181 -179.862 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . 0.401 ' CG1' ' CG ' ' B' ' 74' ' ' ARG . 32.6 t . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.829 0.347 . . . . 74.44 111.175 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.38 159.73 15.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.835 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 32.7 mt -146.67 132.06 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.084 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -104.54 135.46 45.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.094 -0.503 . . . . 65.12 110.855 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 t -118.47 112.84 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.238 -0.437 . . . . 62.13 111.08 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -94.19 136.73 34.16 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.903 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.37 147.47 17.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.53 111.192 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 pp -58.98 140.96 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.011 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 102.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.986 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.39 161.37 42.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.836 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' B' ' 13' ' ' ARG . 18.8 p-80 -81.79 146.3 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.948 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' HIS . 3.9 ttm-85 84.71 -20.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.967 -0.56 . . . . 73.14 111.73 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.83 -51.82 62.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.98 0.419 . . . . 72.4 110.795 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.25 -51.68 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.979 -0.555 . . . . 73.21 110.548 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.39 -34.77 72.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.79 -0.641 . . . . 63.11 110.445 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.55 -45.69 89.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 73.14 110.425 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.87 -48.09 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.641 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -36.87 84.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 74.4 110.204 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.04 -43.89 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 75.32 110.672 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.01 75.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 70.35 110.643 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.65 -31.73 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.75 -0.659 . . . . 75.11 110.544 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.58 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 75.2 111.105 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.43 -28.23 12.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 74.53 111.13 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -120.86 18.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.12 111.214 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 50.03 31.5 4.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.472 -0.331 . . . . 75.5 111.234 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.58 98.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 53.42 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -64.05 106.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.876 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.471 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 4.4 mt -94.85 129.44 45.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 75.34 110.55 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 47' ' ' THR . 85.4 mt -74.71 -29.33 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.366 . . . . 74.53 110.417 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -136.65 131.43 33.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.876 179.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.28 121.42 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.545 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -163.58 141.34 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.903 0.382 . . . . 72.05 111.737 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.1 p -131.19 133.59 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.969 -0.559 . . . . 74.14 110.969 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.5 t -136.58 150.92 48.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.931 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 128.92 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.855 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -67.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.823 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.61 -79.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 71.54 112.45 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.6 -66.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.794 0.33 . . . . 74.2 110.762 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -97.49 37.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.54 110.676 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.3 117.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 74.12 111.234 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.0 142.39 41.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 61.24 111.059 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 mt -130.11 116.73 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.264 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 4.8 t -104.98 152.26 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.76 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -138.85 118.43 12.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.37 -0.377 . . . . 75.41 110.469 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 31' ' ' SER . 70.7 m-85 -126.71 125.3 41.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.963 0.411 . . . . 74.55 111.399 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 30' ' ' LEU . 23.4 m -112.34 115.26 28.46 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.94 -0.573 . . . . 74.41 110.006 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.24 155.11 46.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 75.24 111.27 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -125.5 112.0 15.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.936 -0.575 . . . . 73.22 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mtp -150.05 165.77 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 70.1 110.991 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.37 25.96 8.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.808 -0.71 . . . . 74.52 112.514 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -106.36 104.47 50.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.494 0.188 . . . . 63.05 110.871 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -34.51 24.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.461 2.107 . . . . 74.11 112.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.31 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 73.14 110.883 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -44.27 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.62 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.58 -33.35 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 53.33 110.075 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.32 -42.37 28.32 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.701 -0.761 . . . . 72.44 111.799 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -72.39 -26.31 61.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.675 0.274 . . . . 73.44 110.878 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -46.15 89.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.913 0.387 . . . . 60.14 110.975 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -49.6 76.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.029 -0.532 . . . . 72.13 110.798 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.59 -35.61 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 70.35 110.673 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.35 77.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 62.43 110.743 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -57.24 -31.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.89 -0.596 . . . . 74.32 110.939 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.92 -29.54 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.776 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -80.91 0.04 37.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.535 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.441 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.0 t -82.31 104.26 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-O 120.917 0.389 . . . . 74.32 110.661 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 120.04 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 70.54 110.899 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.08 19.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 74.01 112.906 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.441 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 59.5 t -78.03 121.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 120.914 0.388 . . . . 75.03 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -70.6 -56.22 7.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.519 . . . . 75.41 111.206 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -166.74 169.15 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.172 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 t -127.03 141.26 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.018 -0.537 . . . . 72.14 111.035 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -135.52 130.41 34.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.91 0.386 . . . . 71.41 111.507 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . 0.401 ' CG ' ' CG1' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -68.88 111.07 4.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.682 179.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 70.32 111.183 -179.708 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.79 0.329 . . . . 75.31 111.247 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 t -82.28 138.26 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 73.35 111.14 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.65 171.2 7.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.048 -0.524 . . . . 74.21 111.125 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt -139.92 138.99 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.327 -0.397 . . . . 71.33 111.429 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -110.86 106.8 16.07 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.084 -0.507 . . . . 71.15 110.593 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 t -104.51 112.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.293 -0.412 . . . . 64.13 111.28 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -91.89 129.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.963 -0.562 . . . . 72.24 110.528 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.32 163.4 35.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 73.52 111.338 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -50.67 148.77 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 53.54 111.152 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.5 82.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.196 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -153.64 120.45 5.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.787 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.457 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 27.7 t-80 -57.66 -26.3 61.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.742 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -57.54 -37.98 73.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 72.34 110.524 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.67 -40.36 95.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 74.31 110.616 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.62 -50.26 73.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 74.45 110.472 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.0 t -60.81 -40.36 92.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 64.41 110.442 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.34 -41.21 98.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.567 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -68.44 -37.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 75.21 110.834 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -67.11 -37.11 83.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.52 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -62.12 -40.26 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 73.3 110.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 74.43 110.879 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.59 -54.35 29.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.815 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.067 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.5 -29.97 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.872 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 23.75 13.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 72.53 111.125 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 59.45 47.91 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 53.02 110.935 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.0 t -102.79 114.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.022 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -88.65 119.32 29.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.02 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.34 126.15 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.106 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.21 -31.1 60.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.27 166.72 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 72.51 111.083 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' CB ' ' CD1' ' A' ' 46' ' ' PHE . . . -168.07 149.26 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.05 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 16.9 t -163.61 135.28 4.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.973 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 p -122.5 141.33 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.931 0.396 . . . . 74.4 111.499 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -136.57 132.44 35.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.02 -0.536 . . . . 73.22 110.818 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 t -63.38 111.7 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.113 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -63.2 -76.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 63.51 110.827 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.67 -90.95 2.2 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 61.22 112.493 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -123.77 -72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.793 0.33 . . . . 74.35 110.966 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -97.71 32.94 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 75.1 110.673 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.58 121.14 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.701 . . . . 74.23 111.088 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.3 125.05 48.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.333 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.7 mt -89.84 109.27 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 75.33 110.819 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.5 t -98.0 137.77 36.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.14 111.052 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -116.99 148.93 41.03 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.102 -0.499 . . . . 72.22 110.621 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.444 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 80.5 m-85 -147.08 125.42 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 72.43 111.239 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.6 m -111.25 116.41 30.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.885 -0.598 . . . . 74.21 110.496 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -150.98 139.14 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 74.22 111.189 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.88 125.23 34.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.154 -0.476 . . . . 65.5 110.929 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.418 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 6.9 mmm -149.86 165.43 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 73.44 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 -40.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.779 -0.724 . . . . 74.22 112.607 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.01 107.96 1.0 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.529 0.204 . . . . 72.15 111.137 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.04 -34.45 16.96 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.464 2.11 . . . . 73.44 112.324 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -64.38 -39.44 93.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -77.52 -38.92 47.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 71.35 110.515 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -35.12 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 75.0 110.083 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -39.87 35.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.605 -0.807 . . . . 74.1 111.721 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -73.14 -31.19 64.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 71.33 110.736 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.77 -46.75 88.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.961 0.41 . . . . 71.53 110.893 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -48.0 81.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 71.12 110.778 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -61.17 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.646 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.27 98.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.08 -0.509 . . . . 71.12 110.788 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.4 t -57.02 -29.65 32.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.889 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -59.97 -31.13 69.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 71.53 110.695 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -75.24 -6.98 52.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.325 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.0 t -72.79 104.06 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.875 0.369 . . . . 74.54 110.724 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.58 119.71 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.07 -0.514 . . . . 74.1 110.67 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.529 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.1 t -85.37 124.97 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.789 0.328 . . . . 72.24 111.154 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -74.97 -54.68 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.24 111.218 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -166.7 169.06 13.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 73.2 111.141 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.406 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.3 t -131.53 133.56 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.144 -0.48 . . . . 73.25 111.311 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.5 138.93 43.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.357 -0.383 . . . . 63.23 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 120.25 14.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 75.24 110.831 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.6 t . . . . . 0 N--CA 1.453 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.226 -179.852 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.876 0.369 . . . . 74.44 111.216 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -97.59 151.25 20.25 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.16 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.9 mt -136.03 132.03 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.217 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -105.08 104.75 14.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.517 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -106.09 112.97 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.23 -0.441 . . . . 62.13 111.515 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.04 144.71 28.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.628 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.4 160.74 35.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 75.53 111.262 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 19.9 tp -56.29 132.79 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.32 110.902 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -59.43 99.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.03 111.039 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -142.67 170.18 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 62.53 110.842 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -98.49 30.45 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.915 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -141.48 -43.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.14 111.052 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.72 -38.07 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.4 110.978 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -55.66 31.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.21 110.513 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.5 t -58.05 -31.87 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.78 -0.645 . . . . 63.11 110.485 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -66.04 -46.0 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.596 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.24 -45.81 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 75.1 110.839 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.436 HG23 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.08 -37.23 80.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 74.4 110.132 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -70.6 -39.09 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 75.32 110.703 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.68 76.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 70.35 110.787 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.77 -36.49 75.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.647 . . . . 75.11 110.549 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.44 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 75.2 111.137 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -53.05 -36.0 60.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.33 -0.396 . . . . 74.53 110.953 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.51 19.67 20.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.886 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 tttm 54.11 28.9 9.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.42 -0.354 . . . . 75.5 111.08 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 36.4 t -57.76 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 53.42 110.592 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.12 100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.042 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.457 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 6.1 mt -90.84 130.06 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.856 -0.611 . . . . 75.34 110.337 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 47' ' ' THR . 77.1 mt -74.65 -29.17 61.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.903 0.382 . . . . 74.53 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.2 m -133.04 131.34 40.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.99 -0.55 . . . . 64.02 110.804 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.18 121.42 16.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 74.31 110.144 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.404 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 60.2 p -160.13 134.16 7.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.939 0.4 . . . . 72.05 111.919 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.15 138.09 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.024 -0.535 . . . . 74.14 111.066 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.4 p -136.64 152.88 50.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.406 -0.361 . . . . 74.32 111.03 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -91.58 107.85 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.53 146.4 24.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.59 -82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 71.54 112.386 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -166.74 -66.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.323 . . . . 74.2 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -96.8 38.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.777 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.35 134.44 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 115.977 -0.556 . . . . 74.12 111.169 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.43 113.13 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.24 111.166 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mt -95.75 125.14 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.055 -0.52 . . . . 62.24 111.243 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 150.28 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.893 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -135.1 119.96 18.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.281 -0.418 . . . . 75.41 110.343 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.427 ' CD1' HD11 ' B' ' 29' ' ' ILE . 61.5 m-85 -129.71 125.39 35.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.05 0.452 . . . . 74.55 111.616 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.433 ' O ' ' N ' ' B' ' 30' ' ' LEU . 88.4 m -116.07 119.64 36.51 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.791 -0.64 . . . . 74.41 110.092 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -138.23 147.33 43.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.973 0.416 . . . . 75.24 111.498 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -91.19 111.91 23.59 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.92 -0.582 . . . . 73.22 110.776 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 150.24 31.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.381 -0.372 . . . . 70.1 111.192 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.49 -32.29 1.81 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.885 -0.674 . . . . 74.52 112.374 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.03 110.67 3.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.481 0.181 . . . . 63.05 110.775 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.41 -27.31 33.91 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.449 2.099 . . . . 74.11 112.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -63.02 -40.37 97.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.888 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -77.5 -34.91 53.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 74.11 110.628 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -36.01 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 53.33 110.126 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.04 -38.17 36.01 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.753 -0.737 . . . . 72.44 111.816 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -30.41 52.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 73.44 110.78 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.63 -55.28 16.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.933 0.396 . . . . 60.14 110.868 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -45.7 81.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.746 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.77 -38.78 92.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 70.35 110.65 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.75 95.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.827 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 t -57.83 -32.37 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 74.32 110.94 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -61.07 -26.99 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.892 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.91 -7.99 54.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 73.03 111.388 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.08 104.07 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 120.911 0.386 . . . . 74.32 110.583 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -52.34 116.9 2.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 70.54 110.851 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.03 -19.6 27.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.811 -0.709 . . . . 74.01 112.742 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -70.91 126.09 30.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.337 . . . . 75.03 111.124 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -68.2 -60.52 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 75.41 110.836 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -167.21 169.1 12.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.54 111.069 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 33.1 t -131.38 126.42 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.115 -0.493 . . . . 72.14 111.003 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.32 131.93 37.06 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.894 0.378 . . . . 71.41 111.25 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -69.83 119.48 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 73.22 110.747 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.389 . . . . 70.32 111.231 -179.753 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.865 0.364 . . . . 75.31 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.03 139.82 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.188 -0.46 . . . . 73.35 111.293 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.79 161.47 14.39 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.068 -0.515 . . . . 74.21 110.976 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.401 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 21.0 mt -135.32 131.96 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.328 -0.396 . . . . 71.33 111.407 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -104.84 105.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.26 -0.427 . . . . 71.15 110.495 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.6 t -104.11 112.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.279 -0.419 . . . . 64.13 111.486 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -93.1 128.02 38.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.439 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 69' ' ' VAL . . . -158.02 168.09 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 73.52 111.401 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -53.43 144.54 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 53.54 110.947 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.55 81.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 71.14 111.085 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -153.49 142.07 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.884 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.475 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 19.5 t-80 -72.17 -10.56 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 72.33 111.253 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -69.06 -37.96 78.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.834 0.35 . . . . 72.34 110.827 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.28 -44.94 93.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.521 . . . . 74.31 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.68 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.59 . . . . 74.45 110.805 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -64.24 -42.48 96.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 64.41 110.465 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.83 -41.43 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 74.11 110.696 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 t -68.13 -37.42 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.512 . . . . 75.21 110.829 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -67.28 -37.91 84.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.544 . . . . 72.25 110.544 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -61.04 -39.55 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.3 110.713 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.05 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 74.43 110.947 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.4 -45.37 84.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.08 -32.71 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.021 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.94 -33.48 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.31 111.004 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -104.76 22.06 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 72.53 111.197 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.47 30.17 12.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.396 -0.366 . . . . 53.02 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.4 t -73.78 110.84 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 74.14 111.066 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -74.69 113.89 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 63.02 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.31 123.89 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 73.12 111.095 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.08 -35.65 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.11 170.82 4.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 72.51 111.014 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -167.97 150.19 5.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.273 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -163.61 139.22 6.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 71.53 110.731 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.6 p -130.91 144.76 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 120.966 0.412 . . . . 74.4 111.416 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.6 p -134.46 148.27 50.55 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.996 -0.547 . . . . 73.22 110.836 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 t -73.65 108.14 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 71.24 111.121 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -59.34 -32.81 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 63.51 110.902 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.4 -109.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 61.22 112.673 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.32 113.61 25.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 74.35 111.07 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.42 35.4 17.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 75.1 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.42 130.36 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.099 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.17 118.97 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.375 . . . . 74.01 111.263 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.403 ' CG2' ' NE2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -89.97 114.31 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 75.33 110.922 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.407 ' OG ' ' CE2' ' A' ' 46' ' ' PHE . 18.2 t -97.89 139.82 33.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.939 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 117.53 23.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.486 . . . . 72.22 110.575 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 98.1 m-85 -109.08 151.81 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.253 -0.43 . . . . 72.43 111.162 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.7 m -133.73 118.75 18.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.959 -0.564 . . . . 74.21 110.526 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -150.65 153.69 36.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.282 -0.417 . . . . 74.22 111.089 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -110.57 111.87 23.4 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.165 -0.47 . . . . 65.5 110.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 ttp -150.03 146.99 27.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.759 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.29 29.58 5.9 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.567 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.46 100.23 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.558 0.218 . . . . 72.15 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.76 -42.95 63.83 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 73.44 112.34 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -31.91 73.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 72.32 110.943 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.49 -43.92 30.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.635 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 -32.7 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 75.0 110.093 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.98 -42.5 37.12 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.726 -0.75 . . . . 74.1 111.808 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -73.88 -33.7 64.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.848 0.356 . . . . 71.33 110.684 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.62 -44.83 96.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.759 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -47.32 85.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 71.12 110.803 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.17 -39.38 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.695 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.106 -0.497 . . . . 71.12 110.742 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.88 -33.46 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 74.43 111.103 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -60.21 -28.48 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.327 -0.397 . . . . 71.53 110.768 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -80.23 -2.07 43.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.38 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.74 104.14 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 120.834 0.35 . . . . 74.54 110.696 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -52.69 120.27 5.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 74.1 110.691 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -21.37 24.79 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.68 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 58.4 t -86.07 123.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.81 0.338 . . . . 72.24 111.03 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -52.46 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.279 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -166.75 169.17 13.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.215 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.401 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.7 t -128.64 136.3 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.196 -0.456 . . . . 73.25 111.262 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -135.51 121.97 20.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.426 -0.352 . . . . 63.23 111.273 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 116.57 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.804 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.1 t . . . . . 0 N--CA 1.453 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.275 -179.915 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.832 0.349 . . . . 74.44 111.188 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -103.58 154.57 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.147 -0.479 . . . . 72.13 111.07 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mt -132.38 132.03 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.206 -0.452 . . . . 75.25 111.555 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -109.23 108.12 18.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.966 -0.561 . . . . 65.12 110.393 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -102.5 112.86 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.86 0.362 . . . . 62.13 111.711 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -97.15 132.54 42.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.681 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.17 169.91 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 75.53 111.383 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.31 150.98 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.53 . . . . 73.32 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -71.04 76.73 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.008 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -125.15 139.03 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -64.79 -44.69 89.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.15 111.054 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -30.91 71.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.055 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.36 -37.81 70.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 72.4 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.76 -55.4 34.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 73.21 110.347 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.83 -33.21 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 63.11 110.335 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.67 -44.94 92.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 73.14 110.376 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' CE2' ' B' ' 46' ' ' PHE . 22.2 t -66.97 -39.22 82.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 75.1 110.746 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -38.72 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 74.4 110.457 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -70.58 -36.99 73.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.614 . . . . 75.32 110.826 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -54.63 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 70.35 110.799 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -69.52 -33.23 72.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.812 -0.631 . . . . 75.11 110.543 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.47 -24.5 62.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 75.2 111.097 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -51.25 -35.44 37.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 74.53 110.923 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -107.56 21.13 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 73.12 110.841 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.93 29.5 10.06 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.334 -0.394 . . . . 75.5 110.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.32 89.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.42 110.674 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -63.97 100.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 74.34 110.698 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.475 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 7.5 mt -85.92 134.11 28.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 75.34 110.322 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 7.4 mt -74.33 -26.55 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.365 . . . . 74.53 110.852 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -143.4 133.87 24.82 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.793 179.56 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.79 121.63 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.413 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.42 ' O ' ' N ' ' B' ' 45' ' ' ARG . 0.9 OUTLIER -155.31 130.79 9.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.805 -0.358 . . . . 72.05 111.694 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -131.12 120.42 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.18 -0.464 . . . . 74.14 111.137 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.5 m -136.66 154.09 50.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.32 111.031 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 34.3 p -59.09 129.96 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.42 110.867 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -44.61 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.796 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.69 -76.75 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.898 -0.668 . . . . 71.54 112.407 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.93 -72.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.729 0.3 . . . . 74.2 110.815 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 34.25 1.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.062 0.458 . . . . 65.54 110.374 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.33 139.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.731 -0.668 . . . . 74.12 111.317 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.96 120.7 33.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.002 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 17.8 tt -106.47 132.83 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.249 -0.432 . . . . 62.24 111.339 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -103.36 155.05 18.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.932 -0.576 . . . . 61.43 110.528 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.2 OUTLIER -137.86 117.26 12.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.309 -0.405 . . . . 75.41 110.189 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' B' ' 31' ' ' SER . 89.8 m-85 -125.34 125.22 43.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.048 0.452 . . . . 74.55 111.633 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' B' ' 30' ' ' LEU . 60.9 m -111.2 114.93 28.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.84 -0.618 . . . . 74.41 109.537 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.449 ' CE1' ' CG ' ' B' ' 50' ' ' MET . 1.9 p90 -143.34 160.82 39.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.116 0.484 . . . . 75.24 111.825 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.94 146.46 24.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 73.22 110.61 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 48' ' ' PHE . 0.8 OUTLIER -149.96 137.9 20.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.878 0.371 . . . . 70.1 111.197 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.06 -24.69 4.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.813 -0.708 . . . . 74.52 112.534 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.13 101.43 34.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.249 . . . . 63.05 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.94 -24.49 13.96 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 74.11 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -59.76 -40.1 87.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 73.14 111.117 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -77.29 -42.77 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.691 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.12 -31.9 72.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.949 0.404 . . . . 53.33 110.032 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -45.01 21.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.806 -0.711 . . . . 72.44 111.803 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -26.58 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.719 0.295 . . . . 73.44 110.833 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -46.2 89.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.934 0.397 . . . . 60.14 110.965 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -59.39 -51.22 70.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.54 . . . . 72.13 110.83 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.12 -36.14 78.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 70.35 110.602 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.728 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.37 -30.87 31.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 74.32 110.964 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -31.51 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.718 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.52 -7.18 54.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.344 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.9 t -75.9 104.2 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.886 0.374 . . . . 74.32 110.71 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.29 120.15 4.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 70.54 110.895 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.08 -23.96 19.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 74.01 112.668 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.418 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 96.8 t -79.65 113.93 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.847 0.356 . . . . 75.03 110.964 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.78 -49.98 40.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.068 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.88 169.01 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 71.54 111.032 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.47 145.48 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.047 -0.524 . . . . 72.14 111.183 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -135.33 125.86 26.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.051 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -68.43 109.23 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 70.32 111.11 -179.924 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.872 0.368 . . . . 75.31 111.168 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -82.23 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 73.35 111.206 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.5 159.81 15.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.176 -0.465 . . . . 74.21 111.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 21.8 mm -133.34 132.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.295 -0.411 . . . . 71.33 111.389 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.29 104.7 14.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.054 -0.521 . . . . 71.15 110.605 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 t -105.45 112.74 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.248 -0.433 . . . . 64.13 111.319 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -90.67 134.03 34.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 72.24 110.719 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.4 164.98 34.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 73.52 111.254 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.78 149.41 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 53.54 110.962 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.69 77.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.14 111.146 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.53 128.9 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.812 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.402 ' CB ' HG13 ' B' ' 29' ' ' ILE . 1.5 t-80 -58.98 -28.38 66.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 72.33 110.714 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -38.14 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 72.34 110.812 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.57 -47.38 69.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 74.31 110.783 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.43 -44.82 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 74.45 110.557 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 p -62.92 -41.72 99.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 64.41 110.404 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.32 -42.77 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 74.11 110.423 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -67.51 -35.95 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 75.21 110.679 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -66.35 -39.2 89.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 72.25 110.463 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.0 -43.85 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.009 -0.541 . . . . 73.3 110.536 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.55 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.56 . . . . 74.43 110.716 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.99 -53.87 33.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.942 -0.572 . . . . 75.54 110.631 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -38.54 72.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.999 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.81 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 72.31 110.817 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.41 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.18 45.2 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.912 0.387 . . . . 53.02 111.031 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -109.31 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.063 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -64.11 121.28 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.02 111.031 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.3 129.43 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.054 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.97 -33.0 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 t -170.35 171.52 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.068 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -164.55 145.12 7.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 74.05 111.165 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 m -163.61 133.93 4.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 71.53 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 15.0 p -128.04 140.82 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-O 120.927 0.394 . . . . 74.4 111.531 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -127.99 154.08 46.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.024 -0.535 . . . . 73.22 110.915 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 p -75.9 127.8 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.055 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.7 t -109.55 76.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 63.51 110.836 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.61 -81.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 61.22 112.378 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -159.22 -68.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 74.35 110.86 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -97.95 35.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.02 0.438 . . . . 75.1 110.683 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.44 143.33 34.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.788 -0.642 . . . . 74.23 111.126 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.32 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.01 111.241 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.61 107.9 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 75.33 110.643 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 1.9 p -98.3 131.41 44.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 73.14 111.158 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.84 117.11 29.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.02 -0.536 . . . . 72.22 110.538 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -109.13 125.59 52.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.959 0.409 . . . . 72.43 111.266 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -105.36 115.39 30.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.016 -0.538 . . . . 74.21 110.661 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 142.4 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.399 . . . . 74.22 111.184 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.82 127.41 35.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 65.5 110.859 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.0 165.86 31.41 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.336 -0.393 . . . . 73.44 111.012 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.65 -43.36 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 74.22 112.471 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.68 109.05 1.44 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.511 0.196 . . . . 72.15 111.019 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.75 -31.52 20.41 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.379 2.053 . . . . 73.44 112.412 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -40.82 92.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.787 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -77.58 -44.42 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.968 -0.56 . . . . 71.35 110.479 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 75.0 109.997 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.77 -42.56 38.4 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.789 -0.72 . . . . 74.1 111.596 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.36 -33.27 73.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 71.33 110.636 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -43.86 96.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 71.53 110.799 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.23 -49.45 77.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 71.12 110.821 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.0 -40.66 94.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.628 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.89 93.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 71.12 110.705 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.2 t -56.89 -30.94 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 74.43 110.96 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -60.11 -30.13 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 71.53 110.799 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -76.16 -5.94 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.419 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 26.3 t -74.66 104.2 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 120.879 0.371 . . . . 74.54 110.667 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -51.16 119.82 4.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.544 . . . . 74.1 110.753 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -23.38 21.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.542 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 55.4 t -84.21 126.43 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.825 0.345 . . . . 72.24 111.141 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -73.43 -57.84 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.276 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.72 169.16 13.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.522 . . . . 73.2 111.069 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.41 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.8 t -124.67 136.1 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.103 -0.499 . . . . 73.25 111.276 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 133.48 38.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.905 0.383 . . . . 63.23 111.201 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -71.3 117.17 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.786 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.1 t . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.329 -179.826 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.884 0.373 . . . . 74.44 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.58 169.52 8.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.143 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.6 mt -145.67 132.0 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.949 0.404 . . . . 75.25 111.398 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.53 108.76 20.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.019 -0.537 . . . . 65.12 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.6 112.99 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 62.13 111.593 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -96.65 128.31 43.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.745 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.77 151.28 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 75.53 111.056 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.78 146.47 10.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 73.32 111.123 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.29 95.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.099 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -125.51 -172.57 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 62.53 110.84 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -103.55 -31.36 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 73.15 110.976 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -96.68 -24.41 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.14 111.082 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.55 -42.98 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 72.4 111.064 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -56.4 22.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.329 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 56.9 p -59.43 -29.27 67.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 63.11 110.292 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -47.31 78.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.925 -0.579 . . . . 73.14 110.328 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.01 -44.53 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 75.1 110.451 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -38.63 87.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.819 -0.628 . . . . 74.4 110.143 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.17 -41.71 89.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.607 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.52 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 70.35 110.64 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -76.69 -31.22 57.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.703 -0.68 . . . . 75.11 110.495 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.1 -29.09 67.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 75.2 111.099 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -50.73 -28.52 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.53 111.102 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -117.63 19.02 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 73.12 111.212 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 49.96 30.68 4.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.456 -0.338 . . . . 75.5 111.261 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.5 92.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 53.42 110.625 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -63.95 104.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.983 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.402 HG13 ' CB ' ' A' ' 12' ' ' HIS . 4.3 mt -91.91 135.84 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.867 -0.606 . . . . 75.34 110.348 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' THR . 29.6 mt -74.67 -22.35 58.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.729 0.299 . . . . 74.53 111.073 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.08 143.47 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.962 0.411 . . . . 64.02 110.994 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.22 121.62 13.19 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.0 -0.545 . . . . 74.31 110.278 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.8 m -154.67 138.08 15.86 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.97 0.414 . . . . 72.05 111.861 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.23 135.99 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.869 -0.605 . . . . 74.14 110.829 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.8 p -136.72 154.01 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 74.32 111.158 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -96.93 121.85 39.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.854 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -88.79 -80.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 74.14 111.231 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.69 2.91 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.667 -0.778 . . . . 71.54 112.933 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 68.42 -65.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 74.2 111.249 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.93 35.76 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 65.54 111.22 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.57 113.1 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 74.12 110.712 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.32 114.54 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 61.24 111.323 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.403 HG21 HD13 ' B' ' 43' ' ' ILE . 33.3 mt -102.58 109.77 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.942 -0.572 . . . . 62.24 110.928 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.93 149.4 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.43 110.781 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.59 117.94 11.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.524 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -121.78 125.25 46.09 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.143 -0.481 . . . . 74.55 111.235 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 41.5 m -111.0 115.24 29.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.13 -0.486 . . . . 74.41 110.194 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -138.85 171.34 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 75.24 111.175 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.42 165.78 14.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 73.22 110.678 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.1 ttp -108.9 141.26 41.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 70.1 111.178 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.88 -60.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.895 -0.669 . . . . 74.52 112.349 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -106.39 138.71 19.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.555 0.217 . . . . 63.05 110.794 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.27 -39.26 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.505 2.136 . . . . 74.11 112.383 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -63.83 -27.15 68.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 73.14 111.057 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -77.4 -44.38 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 74.11 110.727 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -31.67 66.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 53.33 110.204 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.54 26.75 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 72.44 111.917 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.2 -29.08 42.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.695 0.283 . . . . 73.44 110.889 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.47 -45.36 94.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.889 0.376 . . . . 60.14 110.834 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -47.99 83.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 72.13 110.812 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -61.38 -36.96 81.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 70.35 110.786 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.51 86.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 62.43 110.811 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 13.9 t -58.2 -30.85 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.53 . . . . 74.32 110.918 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -62.69 -27.29 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.12 110.757 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.14 3.97 28.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.553 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 23.7 t -81.02 104.22 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-O 120.934 0.397 . . . . 74.32 110.645 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -53.72 120.17 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 70.54 110.871 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.05 -23.93 20.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.01 112.76 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 47.6 t -80.9 121.34 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.88 0.371 . . . . 75.03 110.941 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -69.0 -53.93 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 75.41 111.055 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -166.77 169.05 13.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.561 . . . . 71.54 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 24.0 t -131.15 139.35 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.993 -0.549 . . . . 72.14 111.107 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -135.18 122.49 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 71.41 111.18 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 109.21 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 73.22 110.812 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 97.9 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 70.32 111.212 -179.806 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.855 0.36 . . . . 75.31 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.32 149.13 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.35 111.174 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.71 168.46 9.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.862 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.77 131.9 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.992 0.425 . . . . 71.33 111.455 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.01 143.93 29.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.931 -0.577 . . . . 71.15 110.29 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.4 t -141.19 112.71 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.869 0.366 . . . . 64.13 111.342 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -94.19 134.76 36.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 72.24 110.395 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.46 169.06 24.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.368 . . . . 73.52 111.464 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.88 153.85 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 53.54 111.167 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.49 87.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.14 111.2 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.46 139.76 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.654 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -74.43 -35.0 63.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 72.33 110.918 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -61.71 -27.54 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 72.34 111.324 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.23 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 74.31 111.013 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -61.72 -32.36 72.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.512 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.413 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 10.2 t -70.25 -43.67 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 64.41 110.41 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.34 -41.1 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 74.11 110.466 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -66.44 -44.53 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 75.21 110.665 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 m -63.22 -35.8 81.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 72.25 110.496 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 73.3 110.72 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.17 89.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.997 -0.547 . . . . 74.43 110.894 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.22 -50.93 58.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 75.54 110.729 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.34 70.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.24 -29.63 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.46 22.81 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.025 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 60.58 40.42 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 53.02 111.043 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.25 102.7 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.108 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -73.71 119.92 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 63.02 110.959 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.33 130.07 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.12 111.114 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.15 -35.66 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.863 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -170.94 170.42 6.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.97 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 46' ' ' PHE . . . -168.06 155.04 7.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 74.05 111.132 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -163.63 146.48 9.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.53 111.043 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 m -131.01 142.19 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.135 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -136.55 140.06 42.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.092 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.8 m -68.64 117.78 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.963 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -67.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 63.51 110.858 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.81 -95.35 1.56 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.817 -0.706 . . . . 61.22 112.315 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -118.15 -69.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 74.35 110.724 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.95 34.64 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 75.1 110.559 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.46 125.88 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 74.23 111.124 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.65 124.96 43.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.01 111.234 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.401 HG22 HD12 ' A' ' 43' ' ' ILE . 31.8 mt -89.86 143.2 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.79 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -130.41 153.59 48.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 73.14 111.187 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -143.92 149.76 37.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.92 -0.582 . . . . 72.22 110.551 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 32' ' ' ALA . 11.4 m-85 -149.22 125.49 10.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 72.43 111.217 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -104.16 123.25 46.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.968 -0.56 . . . . 74.21 110.623 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.92 135.7 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 74.22 111.096 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -88.81 125.8 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.175 -0.466 . . . . 65.5 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.2 mmt -149.87 165.72 31.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.322 -0.399 . . . . 73.44 111.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.47 -39.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.475 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.44 110.84 7.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.6 0.238 . . . . 72.15 110.916 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.2 -24.17 32.54 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.324 2.016 . . . . 73.44 112.453 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 72.32 111.092 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -77.26 -42.23 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.635 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.64 -32.37 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 75.0 110.1 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.71 -45.1 36.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.794 -0.717 . . . . 74.1 111.645 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.11 -34.37 68.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.836 0.35 . . . . 71.33 110.497 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.12 -44.36 96.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 71.53 110.667 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.38 81.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 71.12 110.774 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.68 -40.16 93.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 75.44 110.594 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.85 94.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 71.12 110.682 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.13 -34.16 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 74.43 111.262 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 71.53 110.733 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -78.43 -4.24 47.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.364 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.402 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 21.2 t -77.64 104.15 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-O 120.846 0.355 . . . . 74.54 110.855 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.68 120.98 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.503 . . . . 74.1 110.747 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 72.24 112.623 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 59.7 t -84.37 125.52 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.843 0.354 . . . . 72.24 111.095 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.99 -55.64 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.256 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -166.72 169.18 13.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.335 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.68 138.1 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.802 -0.636 . . . . 73.25 111.199 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.42 120.39 18.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.423 -0.353 . . . . 63.23 111.168 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -61.67 111.62 1.92 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 75.24 110.889 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t . . . . . 0 N--CA 1.453 -0.321 0 CA-C-N 116.24 -0.436 . . . . 75.21 111.232 -179.918 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.801 0.334 . . . . 74.44 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -116.76 168.52 10.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.131 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.6 mt -140.41 132.12 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.262 -0.426 . . . . 75.25 111.382 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -109.36 105.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.439 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -102.62 112.84 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.207 -0.451 . . . . 62.13 111.555 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -96.85 134.81 39.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.405 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' B' ' 69' ' ' VAL . . . -159.37 162.18 35.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 75.53 111.383 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -57.24 140.04 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 73.32 110.856 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.08 107.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.104 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 164.49 30.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.53 110.776 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -90.5 -48.9 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.15 111.025 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.06 -23.11 58.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.14 111.018 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.08 -42.23 69.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 72.4 111.075 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.0 tp -57.27 -50.44 72.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 73.21 110.501 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 64.3 m -60.29 -36.84 78.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 63.11 110.188 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.93 -45.23 95.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.536 . . . . 73.14 110.415 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.1 -50.89 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 75.1 110.687 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -34.32 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.89 -0.596 . . . . 74.4 110.305 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -45.73 66.01 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.616 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.31 -41.98 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.242 0.544 . . . . 70.35 110.31 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -83.56 -27.96 28.91 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.489 -0.778 . . . . 75.11 110.181 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.17 72.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.921 -0.581 . . . . 75.2 110.859 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -50.08 -27.42 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 74.53 110.853 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.19 -17.24 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.129 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt 71.44 43.01 0.64 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.937 0.398 . . . . 75.5 110.966 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.35 103.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 53.42 110.69 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.73 107.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 74.34 110.534 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mt -94.71 135.47 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.734 -0.667 . . . . 75.34 110.509 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 47' ' ' THR . 12.4 mt -74.48 -20.8 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 74.53 110.303 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.7 OUTLIER -154.77 134.05 12.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.113 -0.494 . . . . 64.02 110.631 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.88 121.64 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 74.31 110.34 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -157.96 140.89 14.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.007 0.432 . . . . 72.05 111.779 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.19 129.31 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.925 -0.579 . . . . 74.14 111.122 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 34.6 p -136.57 153.74 50.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.141 -0.481 . . . . 74.32 111.055 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -59.8 137.92 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.42 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -61.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.915 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.76 -91.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.421 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.11 105.78 14.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 74.2 110.892 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 60.82 39.61 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.19 154.59 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.108 -0.496 . . . . 74.12 111.17 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.08 138.15 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 61.24 110.928 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 tt -130.01 127.98 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 62.24 111.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -97.9 158.25 15.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 61.43 110.595 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 118.43 12.13 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.267 -0.424 . . . . 75.41 110.367 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' B' ' 31' ' ' SER . 59.1 m-85 -123.4 125.3 44.71 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.143 -0.48 . . . . 74.55 111.283 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.447 ' O ' ' N ' ' B' ' 30' ' ' LEU . 45.0 m -114.39 115.16 26.88 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.831 -0.622 . . . . 74.41 109.963 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.403 ' CZ ' HD11 ' B' ' 56' ' ' LEU . 2.8 p90 -140.4 171.6 13.91 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.272 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.23 165.82 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 73.22 110.608 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.4 ptp -108.96 151.06 26.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.971 0.415 . . . . 70.1 111.296 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.75 -51.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.926 -0.654 . . . . 74.52 112.297 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.47 99.56 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.584 0.23 . . . . 63.05 110.795 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.43 -42.81 40.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.455 2.103 . . . . 74.11 112.591 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -62.74 -37.89 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.56 -41.84 37.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.553 . . . . 74.11 110.555 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' B' ' 48' ' ' PHE . 0.3 OUTLIER -69.24 -33.01 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 53.33 110.125 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.69 -41.69 23.42 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.796 -0.716 . . . . 72.44 111.79 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -75.1 -24.31 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.647 0.261 . . . . 73.44 110.983 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -50.91 72.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.021 0.439 . . . . 60.14 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mp -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.595 . . . . 72.13 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.32 -38.53 89.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 70.35 110.718 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.01 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.079 -0.51 . . . . 62.43 110.814 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 t -58.13 -31.83 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 74.32 110.989 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -62.51 -25.67 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.92 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.58 -12.09 60.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 73.03 111.377 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.09 103.96 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-O 120.919 0.39 . . . . 74.32 110.495 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.06 115.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 70.54 110.808 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -16.05 30.08 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.695 -0.765 . . . . 74.01 112.579 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' B' ' 8' ' ' ALA . 9.8 p -75.6 121.4 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.85 0.357 . . . . 75.03 111.145 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -71.09 -49.72 41.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 75.41 110.914 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.31 165.08 15.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.558 . . . . 71.54 111.077 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 33.1 t -131.51 132.35 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 116.07 -0.514 . . . . 72.14 110.809 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.26 128.98 32.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.82 0.343 . . . . 71.41 111.225 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.74 110.57 4.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.789 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 87.0 t . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 70.32 111.186 -179.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.877 0.37 . . . . 75.31 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -82.21 144.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.35 111.136 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.416 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -108.5 167.43 10.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.997 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.448 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 27.5 mt -141.92 133.15 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-O 120.899 0.38 . . . . 71.33 111.434 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.405 ' HB2' ' CG2' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -105.55 104.87 14.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 110.723 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.87 112.7 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.321 -0.4 . . . . 64.13 111.268 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -90.63 133.8 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.788 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.35 166.86 30.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 73.52 111.27 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.9 mt -52.09 149.62 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 53.54 111.017 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.91 76.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.023 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.54 130.15 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.848 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.424 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 32.6 t60 -59.03 -21.33 58.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -57.96 -38.64 76.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.86 0.362 . . . . 72.34 110.885 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 74.31 110.767 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.75 -48.46 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 74.45 110.809 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -60.9 -41.22 95.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.91 -0.586 . . . . 64.41 110.585 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.69 -41.67 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.533 . . . . 74.11 110.569 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -66.74 -39.93 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 75.21 110.833 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -65.69 -36.91 85.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 72.25 110.612 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 73.3 110.714 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.39 98.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 74.43 110.943 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.4 mt -65.26 -49.28 70.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 75.54 110.817 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.43 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.508 . . . . 73.12 111.122 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -58.41 -31.1 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 72.31 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -108.94 25.86 11.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 72.53 111.088 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 30.48 15.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.375 . . . . 53.02 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 t -75.86 125.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.065 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -94.09 115.77 28.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 63.02 110.926 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -96.3 129.59 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.134 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.4 mt -75.15 -32.05 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 72.1 110.971 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -173.18 171.52 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.927 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HB3' ' CD2' ' A' ' 46' ' ' PHE . . . -163.94 146.03 9.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 74.05 111.147 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -163.58 129.91 3.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.304 -0.407 . . . . 71.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 12.2 p -121.28 141.46 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.276 -0.42 . . . . 74.4 111.461 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.415 ' N ' HG22 ' A' ' 34' ' ' VAL . 3.5 p -136.49 154.12 50.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.891 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 121.07 8.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 71.24 111.015 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -66.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.51 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.26 -113.07 0.78 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 61.22 112.533 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -95.36 103.72 15.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 74.35 110.935 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 64.25 38.32 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 75.1 110.859 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.0 t -137.38 147.4 26.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.142 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.24 120.51 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.1 tp -97.91 120.25 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.33 111.195 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 4.2 p -98.77 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.056 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -116.13 117.12 29.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.066 -0.515 . . . . 72.22 110.519 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 32' ' ' ALA . 7.2 m-85 -112.4 129.43 56.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.325 -0.398 . . . . 72.43 111.346 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -107.9 124.0 49.46 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.984 -0.553 . . . . 74.21 110.608 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.78 171.13 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.149 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -88.54 165.74 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 65.5 110.842 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.6 ptp -109.03 144.52 36.93 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.44 111.103 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.6 -76.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.422 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.34 141.6 23.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.652 0.263 . . . . 72.15 110.823 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.9 -33.35 3.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.497 2.131 . . . . 73.44 112.417 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.525 . . . . 72.32 110.945 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.49 -44.39 28.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 71.35 110.657 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.67 -33.88 74.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.062 0.458 . . . . 75.0 110.041 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.8 -40.0 37.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.678 -0.772 . . . . 74.1 111.658 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -32.62 70.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.744 0.307 . . . . 71.33 110.793 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -47.16 85.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.02 0.438 . . . . 71.53 110.924 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mp -58.45 -48.35 81.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 71.12 110.837 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.44 -39.72 91.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.699 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.78 98.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 71.12 110.699 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.68 -32.62 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.892 -0.595 . . . . 74.43 111.094 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -60.7 -29.03 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 71.53 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.07 -2.94 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.436 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 22.0 t -76.4 104.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 120.852 0.358 . . . . 74.54 110.697 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.49 120.65 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 74.1 110.76 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.24 -24.02 19.34 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.728 -0.748 . . . . 72.24 112.606 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 52.1 t -83.02 127.36 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.819 0.342 . . . . 72.24 111.089 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -61.18 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 63.24 111.319 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.74 169.16 24.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.076 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.422 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 22.0 t -130.37 135.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.351 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 134.91 40.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.863 0.363 . . . . 63.23 111.264 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.17 113.86 5.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.833 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 3' ' ' ALA . 11.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.261 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 120.793 0.33 . . . . 74.44 111.256 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.37 165.2 11.29 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.163 -0.472 . . . . 72.13 111.062 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.411 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 32.9 mt -144.47 134.91 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.333 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.54 115.72 30.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.093 -0.503 . . . . 65.12 110.743 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -106.96 112.83 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.343 -0.39 . . . . 62.13 111.471 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -92.26 136.93 32.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.766 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.37 162.55 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 75.53 111.286 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.52 127.23 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 73.32 111.0 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -64.47 89.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.03 110.861 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -128.14 167.66 16.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -91.12 55.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.839 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -176.6 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.03 -36.3 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 72.4 110.855 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.57 -54.92 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.527 . . . . 73.21 110.361 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -32.49 70.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 63.11 110.136 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.14 -45.13 93.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 73.14 110.284 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.9 -42.56 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 75.1 110.487 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.424 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.6 -39.95 80.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 74.4 110.159 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -37.86 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.876 -0.602 . . . . 75.32 110.75 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.99 83.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.733 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.5 mt -71.96 -33.94 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 75.11 110.511 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -24.21 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 75.2 111.175 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.44 -38.86 60.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 74.53 110.96 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -102.97 21.88 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 73.12 110.885 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.4 27.56 8.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 75.5 111.157 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.4 90.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 53.42 110.409 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -63.89 100.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 74.34 111.103 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.424 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 6.2 mt -89.05 137.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.01 -0.541 . . . . 75.34 110.077 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 47' ' ' THR . 15.9 mt -74.52 -23.31 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 74.53 111.045 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.83 139.61 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.383 -0.371 . . . . 64.02 111.043 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.07 127.54 26.7 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.008 -0.542 . . . . 74.31 110.327 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 45' ' ' ARG . 83.7 p -160.65 133.8 6.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 72.05 111.725 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.5 p -131.18 131.02 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.994 -0.548 . . . . 74.14 111.11 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.3 m -136.54 143.27 43.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.995 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -66.83 117.33 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.784 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -52.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 74.14 110.942 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.6 100.24 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.471 -0.871 . . . . 71.54 113.206 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t0 81.26 98.0 0.05 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.01 0.434 . . . . 74.2 111.938 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 41.43 33.52 0.29 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.673 -0.694 . . . . 65.54 112.213 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 1.2 m -137.75 126.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.253 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.25 50.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 61.24 111.317 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 24.4 mt -130.04 126.35 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.023 -0.535 . . . . 62.24 111.059 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.9 OUTLIER -99.58 160.23 14.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 61.43 110.759 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 33' ' ' SER . 1.0 OUTLIER -141.05 127.95 20.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.323 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.403 ' CD1' HD13 ' B' ' 29' ' ' ILE . 82.5 m-85 -132.21 125.33 30.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.012 0.434 . . . . 74.55 111.754 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 30' ' ' LEU . 40.3 m -110.87 115.24 29.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.87 -0.605 . . . . 74.41 109.745 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' B' ' 56' ' ' LEU . 3.3 p90 -136.28 171.53 14.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.057 0.456 . . . . 75.24 111.327 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.14 165.75 14.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.894 -0.594 . . . . 73.22 110.738 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.4 ptm -108.87 144.31 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.315 -0.402 . . . . 70.1 111.4 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.28 -68.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.999 -0.62 . . . . 74.52 112.172 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.41 128.88 25.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.531 0.205 . . . . 63.05 110.509 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.41 -19.91 16.56 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.479 2.119 . . . . 74.11 112.787 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -43.98 87.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.793 0.33 . . . . 73.14 111.246 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' B' ' 56' ' ' LEU . 7.9 p80 -77.78 -37.98 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.733 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' N ' ' ND1' ' B' ' 55' ' ' HIS . 0.3 OUTLIER -73.02 -33.44 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 53.33 110.236 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.03 25.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.721 -0.752 . . . . 72.44 111.833 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -78.63 -26.16 45.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.685 0.279 . . . . 73.44 110.915 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.79 -46.66 88.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.864 0.364 . . . . 60.14 110.895 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.38 -51.19 70.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 72.13 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -61.08 -34.5 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 70.35 110.664 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.34 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 62.43 110.869 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 t -56.91 -32.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 74.32 111.117 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -61.26 -28.38 69.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.831 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -81.11 0.78 34.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.638 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.424 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.9 t -81.31 104.14 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 120.891 0.377 . . . . 74.32 110.652 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -53.64 119.97 5.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.01 -0.541 . . . . 70.54 110.985 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.24 -24.07 19.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.751 . . . . 74.01 112.774 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.424 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 61.6 t -79.13 123.13 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 75.03 110.876 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -68.72 -59.58 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 75.41 111.087 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -166.7 169.13 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 71.54 111.179 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.411 ' CG1' ' CG2' ' B' ' 4' ' ' ILE . 20.7 t -125.48 136.87 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.046 -0.525 . . . . 72.14 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.37 129.02 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 71.41 111.079 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -66.0 114.22 5.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.826 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 92.4 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.242 -179.812 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.857 0.36 . . . . 75.31 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.06 149.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.226 -0.443 . . . . 73.35 111.22 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.46 166.18 11.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.874 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 46' ' ' PHE . 36.1 mt -144.16 133.85 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.025 0.44 . . . . 71.33 111.533 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 5.3 tt0 -103.08 130.49 50.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.744 -0.662 . . . . 71.15 110.332 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 8.5 t -124.88 112.87 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.848 0.356 . . . . 64.13 111.417 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -93.25 132.99 36.92 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.619 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.33 170.85 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.374 . . . . 73.52 111.329 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -52.36 149.69 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 53.54 111.086 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.04 78.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.14 111.224 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.49 133.35 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.807 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.461 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 2.8 t60 -59.74 -29.08 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.473 -0.33 . . . . 72.33 110.707 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -57.66 -34.83 69.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 72.34 111.131 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.01 -51.96 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 74.31 110.969 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -59.19 -42.39 90.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.97 -0.559 . . . . 74.45 110.717 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -62.78 -40.48 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 64.41 110.519 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.62 -45.86 88.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.582 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.2 -36.09 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.99 -0.55 . . . . 75.21 110.625 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.8 m -66.84 -38.85 87.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.045 -0.525 . . . . 72.25 110.571 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -60.13 -38.77 84.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.57 . . . . 73.3 110.72 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.11 89.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 74.43 110.96 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.79 -50.97 66.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 75.54 110.773 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.92 69.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.12 111.079 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.16 -30.63 66.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.54 21.88 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.145 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.61 39.65 27.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 53.02 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.08 127.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.085 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -90.15 115.41 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 63.02 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.38 120.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.082 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -75.17 -35.62 61.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 72.1 111.009 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -163.23 163.05 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.51 111.07 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -161.28 140.41 10.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.22 -0.446 . . . . 74.05 111.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -163.66 138.53 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 71.53 110.679 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.434 HG11 ' CB ' ' A' ' 44' ' ' SER . 13.5 m -130.95 145.52 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.394 -0.366 . . . . 74.4 111.527 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.9 p -136.56 149.18 47.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.055 -0.521 . . . . 73.22 110.87 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 m -77.26 112.88 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.24 111.039 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.7 t -63.99 -58.09 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 63.51 110.758 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.92 -91.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 61.22 112.399 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -73.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 74.35 110.92 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.64 33.54 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 75.1 110.546 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.1 m -137.52 118.52 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.718 -0.673 . . . . 74.23 111.3 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.93 125.44 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 74.01 111.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.445 HD13 HG23 ' A' ' 43' ' ' ILE . 18.5 mt -89.9 135.46 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 75.33 110.89 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.434 ' CB ' HG11 ' A' ' 34' ' ' VAL . 1.9 m -114.26 148.14 37.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 73.14 111.32 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.0 117.26 9.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 72.22 110.408 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 4' ' ' ILE . 23.7 p90 -138.1 132.66 32.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.031 0.443 . . . . 72.43 111.513 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 m -104.45 138.65 40.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 74.21 110.51 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -150.87 166.5 30.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.293 -0.412 . . . . 74.22 111.053 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.67 165.69 14.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 65.5 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.09 154.87 21.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.278 -0.419 . . . . 73.44 111.048 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.36 -80.99 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.815 -0.707 . . . . 74.22 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -98.63 139.25 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.602 0.239 . . . . 72.15 110.819 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.37 -32.56 7.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.461 2.107 . . . . 73.44 112.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -65.09 -35.16 80.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 72.32 110.866 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -77.47 -43.93 30.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.35 110.611 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.71 -31.61 66.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 75.0 110.073 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.42 -44.4 27.64 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.695 -0.765 . . . . 74.1 111.837 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -74.13 -30.76 62.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 71.33 110.708 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.82 -46.95 82.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 71.53 110.932 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.12 -50.07 74.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.766 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -61.55 -38.41 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.559 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.33 94.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.901 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.95 -33.68 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 74.43 110.997 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -61.52 -25.13 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 71.53 110.913 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -90.49 12.27 19.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.44 -0.346 . . . . 74.2 111.765 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.7 t -83.36 104.26 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.915 0.388 . . . . 74.54 110.7 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.65 120.35 6.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 74.1 110.692 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.26 -22.98 21.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 72.24 112.735 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -83.98 131.89 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 120.852 0.358 . . . . 72.24 111.124 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -50.91 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 63.24 111.297 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -166.78 169.12 13.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.146 -0.479 . . . . 73.2 111.232 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' GLN . 23.5 t -131.41 138.18 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.066 -0.515 . . . . 73.25 111.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -135.47 124.85 24.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.305 -0.407 . . . . 63.23 111.318 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.34 113.35 4.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 75.24 110.886 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.21 111.182 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.906 0.384 . . . . 74.44 111.189 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.84 168.06 9.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.063 -0.517 . . . . 72.13 111.013 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.419 HD12 HG22 ' B' ' 4' ' ' ILE . 36.4 mt -142.91 132.0 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.308 -0.405 . . . . 75.25 111.275 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -103.85 143.58 32.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.976 -0.556 . . . . 65.12 110.675 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.13 112.83 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.322 -0.399 . . . . 62.13 111.406 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -91.92 140.06 30.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.882 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.48 158.28 31.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.107 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 mt -57.85 134.52 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.15 107.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.038 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -153.38 169.61 22.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.53 110.922 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -101.28 31.25 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.885 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -141.99 -45.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.028 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 34.2 mt -56.0 -36.75 68.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 72.4 110.926 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -56.78 17.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 73.21 110.294 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -30.75 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.785 -0.643 . . . . 63.11 110.293 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.56 -46.07 84.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.271 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.54 -42.53 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.358 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -40.57 81.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 74.4 110.159 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -68.02 -38.58 82.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 75.32 110.755 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -44.05 85.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 70.35 110.71 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.35 -36.41 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.663 . . . . 75.11 110.483 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.8 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 75.2 111.084 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.66 -32.23 50.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.927 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.57 17.33 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 73.12 111.088 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mttt 53.29 30.3 9.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 75.5 111.176 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.65 92.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 53.42 110.637 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.12 106.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 74.34 111.041 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.461 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 4.8 mt -92.54 136.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 75.34 110.349 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 38.5 mt -74.69 -21.63 59.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.53 110.634 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.7 OUTLIER -158.95 131.35 6.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.24 -0.436 . . . . 64.02 110.822 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.49 130.19 47.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.002 -0.544 . . . . 74.31 110.386 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.412 ' O ' ' N ' ' B' ' 45' ' ' ARG . 52.2 p -160.65 140.55 11.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 120.746 -0.382 . . . . 72.05 111.677 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p -131.15 131.94 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.073 -0.512 . . . . 74.14 111.18 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -136.61 151.57 49.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.946 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.4 p -82.6 139.48 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.32 -30.28 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.915 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.72 -82.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.43 -69.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 74.2 110.777 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.94 35.79 1.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 65.54 110.589 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.29 121.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 74.12 111.296 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.22 145.25 36.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.24 110.937 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . 0.422 HD11 HG21 ' B' ' 43' ' ' ILE . 26.3 mt -130.13 116.16 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.233 -0.439 . . . . 62.24 111.284 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -98.08 152.85 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.672 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.0 OUTLIER -143.75 118.64 9.95 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.406 -0.361 . . . . 75.41 110.463 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' B' ' 29' ' ' ILE . 72.6 m-85 -123.02 125.23 44.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.25 -0.432 . . . . 74.55 111.478 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' B' ' 30' ' ' LEU . 35.4 m -109.9 115.34 29.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.714 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -144.88 171.54 14.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.063 0.458 . . . . 75.24 111.394 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.2 153.4 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 73.22 110.651 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -108.96 139.1 44.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.923 0.392 . . . . 70.1 111.33 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 -56.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.303 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -106.33 134.53 19.74 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.564 0.221 . . . . 63.05 110.809 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.31 -29.22 6.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.473 2.115 . . . . 74.11 112.497 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -66.32 -36.34 82.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 73.14 111.071 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.42 -44.48 28.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 74.11 110.734 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -31.63 65.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 53.33 110.267 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.79 25.87 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.749 -0.738 . . . . 72.44 112.004 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -77.49 -27.63 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.75 0.309 . . . . 73.44 110.912 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 60.14 110.942 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.35 -51.52 69.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 72.13 110.749 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.86 -35.32 76.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 70.35 110.618 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.0 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 62.43 110.768 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.11 -32.56 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.861 -0.608 . . . . 74.32 111.085 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -60.58 -30.15 69.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 74.12 110.834 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.95 -0.02 37.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.558 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.415 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 23.8 t -80.42 104.25 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.969 0.414 . . . . 74.32 110.59 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 119.27 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 70.54 110.994 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.0 19.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 74.01 112.782 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.415 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 48.2 t -80.75 123.87 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.831 0.348 . . . . 75.03 111.019 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -61.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.968 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -166.74 169.1 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.912 -0.585 . . . . 71.54 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.5 140.43 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.106 -0.497 . . . . 72.14 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.38 127.99 30.79 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.389 -0.369 . . . . 71.41 111.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -65.39 109.18 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.824 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.453 -0.325 0 CA-C-N 116.277 -0.419 . . . . 70.32 111.207 -179.837 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.895 0.379 . . . . 75.31 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 t -82.28 138.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 73.35 111.218 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.57 156.1 18.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.993 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 27.1 mt -138.8 136.96 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.331 -0.395 . . . . 71.33 111.485 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -110.39 113.32 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.159 -0.473 . . . . 71.15 110.415 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 46' ' ' PHE . 21.6 t -109.42 112.8 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.867 0.365 . . . . 64.13 111.509 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.68 126.72 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 72.24 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 166.83 30.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.851 0.357 . . . . 73.52 111.388 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.01 141.55 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 53.54 110.825 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -62.24 82.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 71.14 111.147 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' ND2' ' B' ' 28' ' ' ASN . 6.4 mtt-85 -153.46 125.67 7.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.866 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.495 ' CD2' ' CD1' ' B' ' 29' ' ' ILE . 10.3 t-80 -61.02 -19.4 61.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 72.33 110.888 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -35.96 82.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 72.34 110.62 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.1 mt -67.44 -58.54 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 74.31 110.873 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 12' ' ' HIS . 4.6 pp -56.75 -33.75 66.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.04 -0.527 . . . . 74.45 110.525 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -67.83 -47.46 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 64.41 110.528 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.464 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -69.96 -37.98 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 75.21 110.698 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.7 m -65.86 -37.55 86.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 72.25 110.5 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -59.91 -40.43 88.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 73.3 110.534 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.2 84.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.804 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.0 mt -64.17 -52.82 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 75.54 110.682 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.56 81.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.933 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.44 -29.42 69.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.79 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.32 15.6 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.53 111.233 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.16 31.18 19.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.787 0.327 . . . . 53.02 111.008 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 t -84.33 102.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 74.14 111.008 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -72.46 114.43 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.965 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -96.34 127.8 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.12 111.046 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -75.14 -33.75 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 72.1 111.016 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 p -173.16 171.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 72.51 110.807 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.51 152.59 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 74.05 111.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 m -163.63 139.0 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.911 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 m -130.99 135.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.399 -0.364 . . . . 74.4 111.435 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 144.78 44.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.923 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -59.57 117.85 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.106 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -67.89 -42.14 81.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 63.51 110.955 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.23 -101.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 61.22 112.599 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -100.04 110.59 22.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 74.35 111.042 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.36 35.48 20.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 75.1 111.107 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.42 139.22 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.031 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.22 122.93 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 74.01 111.246 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.81 109.29 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.029 -0.532 . . . . 75.33 111.022 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 m -98.01 140.75 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -129.49 117.24 20.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.276 -0.42 . . . . 72.22 110.734 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.423 ' CE2' HG22 ' A' ' 6' ' ' VAL . 73.0 m-85 -113.14 125.59 54.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.302 -0.408 . . . . 72.43 111.169 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.4 m -109.87 122.17 46.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.037 -0.529 . . . . 74.21 110.71 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.78 171.12 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 74.22 111.081 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 119.06 21.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.095 -0.502 . . . . 65.5 110.944 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 mmm -149.97 165.85 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.916 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.6 25.8 3.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 74.22 112.601 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.5 99.63 25.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.556 0.217 . . . . 72.15 110.899 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.08 -41.88 71.77 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.395 2.063 . . . . 73.44 112.387 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -33.15 75.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.998 -0.546 . . . . 72.32 110.931 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -77.42 -42.48 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 71.35 110.7 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -74.3 -32.63 62.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 75.0 110.128 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.56 -39.04 31.06 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 74.1 111.906 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -78.7 -30.5 46.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.713 0.292 . . . . 71.33 110.784 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.11 -48.15 77.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.933 0.397 . . . . 71.53 110.917 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -48.62 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.856 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.98 -39.92 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.603 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.35 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 71.12 110.751 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.97 -30.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 74.43 110.95 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -60.11 -30.42 69.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.787 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -78.99 -2.7 41.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.444 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.405 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 22.8 t -76.19 104.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.88 0.372 . . . . 74.54 110.791 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.12 118.71 3.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.675 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.48 28.23 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.656 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.405 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 60.0 t -88.28 128.21 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.24 111.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.32 -55.52 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 63.24 111.328 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -163.32 169.14 19.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 73.2 111.35 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.417 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 24.5 t -131.25 132.68 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.205 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 131.17 35.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.803 0.335 . . . . 63.23 111.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -68.17 121.33 15.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.759 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t . . . . . 0 N--CA 1.452 -0.325 0 CA-C-N 116.346 -0.388 . . . . 75.21 111.264 -179.864 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.857 0.36 . . . . 74.44 111.308 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.69 171.15 10.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.135 -0.484 . . . . 72.13 110.927 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 21.7 mt -141.71 131.96 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.363 -0.381 . . . . 75.25 111.484 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.74 106.13 16.5 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.483 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 t -102.57 112.88 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.925 0.393 . . . . 62.13 111.625 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -95.84 134.71 38.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.073 -0.512 . . . . 75.13 110.693 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.39 162.36 35.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 75.53 111.263 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.87 136.87 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.949 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -61.15 86.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.881 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.03 149.1 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 62.53 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -71.23 -42.38 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -32.86 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.886 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.55 -46.65 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.826 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 tp -57.69 -47.22 82.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 73.21 110.516 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.7 m -63.03 -32.7 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.791 -0.64 . . . . 63.11 110.342 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -46.42 80.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.555 . . . . 73.14 110.437 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.31 -46.95 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.496 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.775 -0.648 . . . . 74.4 110.095 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -39.53 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 75.32 110.688 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.98 -44.56 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 70.35 110.599 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . 0.43 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 1.8 mt -74.02 -35.87 64.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.674 . . . . 75.11 110.392 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -28.73 69.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 75.2 111.065 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.11 -30.67 49.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.968 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.61 16.8 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.253 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt 54.76 33.36 19.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.419 -0.355 . . . . 75.5 111.103 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.52 89.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 53.42 110.551 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . 0.406 ' ND2' ' NH1' ' A' ' 11' ' ' ARG . 13.2 t-20 -63.88 107.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.02 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 3.4 mt -96.24 135.32 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.882 -0.599 . . . . 75.34 110.264 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.5 mt -74.56 -21.27 59.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 74.53 110.45 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.19 131.3 9.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.554 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.21 128.79 40.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.09 -0.505 . . . . 74.31 110.606 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.7 p -161.09 140.62 10.55 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.969 0.414 . . . . 72.05 111.671 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.1 135.02 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.995 -0.548 . . . . 74.14 111.018 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 t -136.64 153.97 50.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.32 111.043 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.65 121.51 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.821 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -28.02 54.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.064 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . 0.405 ' N ' ' CG2' ' B' ' 41' ' ' VAL . . . 167.44 -125.88 1.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.621 -0.8 . . . . 71.54 112.535 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.1 108.42 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 74.2 110.919 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 56.19 37.88 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 65.54 111.048 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' B' ' 38' ' ' GLY . 1.4 m -137.34 142.69 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.006 -0.543 . . . . 74.12 111.161 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.05 126.63 28.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 61.24 111.047 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.8 tt -112.14 126.49 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.247 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 156.96 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 61.43 110.666 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -138.15 117.91 13.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.315 -0.402 . . . . 75.41 110.461 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -122.54 125.18 45.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.236 -0.438 . . . . 74.55 111.347 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 30' ' ' LEU . 30.4 m -112.85 115.39 28.39 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.845 -0.616 . . . . 74.41 109.761 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.425 ' HB3' ' HA ' ' B' ' 29' ' ' ILE . 1.0 OUTLIER -145.11 171.15 14.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.997 0.427 . . . . 75.24 111.635 -179.23 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -88.57 164.31 15.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.836 -0.62 . . . . 73.22 110.872 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.7 ttp -109.13 162.14 14.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.349 -0.387 . . . . 70.1 111.178 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.15 -70.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.815 -0.707 . . . . 74.52 112.376 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.01 100.82 30.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.613 0.244 . . . . 63.05 110.696 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.29 -25.3 9.66 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.613 2.209 . . . . 74.11 112.69 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -44.35 96.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 73.14 111.066 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' B' ' 56' ' ' LEU . 2.3 p-80 -77.63 -40.7 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.46 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' B' ' 55' ' ' HIS . 0.2 OUTLIER -64.46 -39.79 94.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 53.33 109.869 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -41.45 58.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.716 -0.754 . . . . 72.44 111.465 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -33.34 73.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.293 . . . . 73.44 110.845 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -47.99 78.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.385 . . . . 60.14 110.958 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.41 -50.17 74.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 72.13 110.856 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.92 -36.81 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 70.35 110.645 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 62.43 110.833 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 16.7 t -57.27 -32.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 74.32 111.065 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -60.72 -27.95 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.806 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -83.54 3.47 32.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.624 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.5 104.21 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 120.932 0.396 . . . . 74.32 110.727 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.94 120.11 5.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.987 -0.551 . . . . 70.54 110.852 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.04 19.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 74.01 112.622 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.5 t -82.17 122.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 75.03 111.047 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -60.81 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.83 169.08 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 71.54 110.989 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.17 137.57 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.185 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.22 125.02 25.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.211 -0.45 . . . . 71.41 111.099 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -65.93 112.74 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 70.32 111.158 -179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.794 0.331 . . . . 75.31 111.199 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.07 144.94 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.208 -0.451 . . . . 73.35 111.197 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -99.57 162.25 13.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.264 -0.425 . . . . 74.21 110.986 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.0 mt -142.53 132.02 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 71.33 111.588 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -106.37 108.45 19.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.09 -0.505 . . . . 71.15 110.504 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -104.24 112.93 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 120.868 0.366 . . . . 64.13 111.617 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.72 125.69 37.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.564 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 69' ' ' VAL . . . -159.41 157.0 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 73.52 111.386 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.42 ' CD1' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -52.05 151.57 3.63 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.219 -0.446 . . . . 53.54 110.742 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -64.18 87.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 71.14 111.769 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -153.74 116.94 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.598 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.404 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 2.0 t60 -53.34 -29.24 33.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.764 0.316 . . . . 72.33 110.85 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -52.18 -30.17 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.355 -0.384 . . . . 72.34 110.839 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CD2' ' CD1' ' A' ' 9' ' ' LEU . 3.0 mm? -67.54 -45.96 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.54 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -46.68 89.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.801 -0.636 . . . . 74.45 110.643 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 t -63.61 -40.21 96.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 64.41 110.428 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -41.78 96.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.6 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.3 -36.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 75.21 110.792 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.9 m -68.42 -38.68 81.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.25 110.504 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -40.45 97.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 73.3 110.665 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.88 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 74.43 110.886 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -66.26 -46.29 77.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.696 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.07 75.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.858 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.96 -29.49 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.722 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 4.3 mp0 -109.95 28.41 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.941 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 5.6 pttt 47.0 31.78 1.65 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 53.02 111.127 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.81 111.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 74.14 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -80.1 117.6 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.34 131.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.008 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.08 -33.5 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 72.1 111.167 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m -173.12 171.59 4.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 72.51 111.084 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 46' ' ' PHE . . . -165.71 145.0 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 74.05 111.046 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -163.56 135.5 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 71.53 111.067 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 35' ' ' THR . 12.3 p -131.06 140.11 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.351 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.403 ' N ' HG21 ' A' ' 34' ' ' VAL . 3.6 t -136.57 139.82 42.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -68.29 115.56 7.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.963 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -51.01 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 63.51 110.87 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.95 -91.78 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.824 -0.703 . . . . 61.22 112.411 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.94 -73.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 74.35 110.834 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -97.38 34.0 1.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.515 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.43 111.43 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.753 -0.658 . . . . 74.23 111.375 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.83 119.38 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.009 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.492 HD11 HG23 ' A' ' 43' ' ' ILE . 26.4 mt -89.87 116.66 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.33 111.225 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.97 148.97 22.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.755 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.45 117.17 10.94 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.579 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 32' ' ' ALA . 61.6 m-85 -118.32 143.69 46.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.153 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.6 m -124.83 128.0 48.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.6 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -150.64 170.82 18.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.315 -0.402 . . . . 74.22 111.088 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -137.33 112.0 8.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.086 -0.506 . . . . 65.5 110.943 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -150.01 153.65 36.88 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.955 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.43 26.39 13.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.484 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.37 101.59 36.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.52 0.2 . . . . 72.15 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.44 -37.47 17.3 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.389 2.06 . . . . 73.44 112.32 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.01 82.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.027 -0.533 . . . . 72.32 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -40.68 43.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 71.35 110.438 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -32.84 72.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 75.0 109.902 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.37 -44.0 29.29 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 74.1 111.638 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -30.89 68.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 71.33 110.693 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -49.88 72.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 71.53 110.86 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -46.56 85.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.961 -0.563 . . . . 71.12 110.833 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.743 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.07 97.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.809 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.73 -29.98 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.883 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -61.42 -29.2 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 71.53 110.807 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -80.68 -1.06 40.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.272 -0.422 . . . . 74.2 111.446 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.4 t -76.11 104.11 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.961 0.41 . . . . 74.54 110.74 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.27 120.78 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.616 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -23.14 21.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.678 -0.772 . . . . 72.24 112.513 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.407 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 38.4 t -87.13 123.51 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.24 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -54.4 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.076 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 73.2 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.39 137.07 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.158 -0.473 . . . . 73.25 111.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.39 127.83 30.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.282 -0.417 . . . . 63.23 111.324 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.32 113.51 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.763 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.407 ' HB ' ' CB ' ' A' ' 3' ' ' ALA . 1.4 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 75.21 110.871 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.904 0.383 . . . . 74.44 111.33 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.02 157.67 28.38 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.1 -0.5 . . . . 72.13 110.884 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.422 HD12 ' CE1' ' B' ' 48' ' ' PHE . 2.9 mp -137.34 132.06 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.384 -0.371 . . . . 75.25 111.357 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -106.29 106.48 17.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.132 -0.486 . . . . 65.12 110.529 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -103.55 112.89 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.327 -0.397 . . . . 62.13 111.477 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.13 139.24 31.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.724 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.42 158.72 32.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.333 -0.394 . . . . 75.53 111.152 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.5 140.3 56.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.874 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.78 102.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -153.39 169.19 23.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.845 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.92 31.29 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.831 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.37 -45.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.89 -39.77 72.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 72.4 110.882 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.21 -55.36 35.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 73.21 110.358 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -58.91 -31.01 68.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 63.11 110.197 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.79 -47.68 79.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 73.14 110.379 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.93 -41.98 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.963 -0.562 . . . . 75.1 110.615 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -38.5 80.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 74.4 110.21 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.96 -40.26 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 75.32 110.707 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.35 91.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 70.35 110.579 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -73.85 -33.55 64.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.836 -0.62 . . . . 75.11 110.613 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.35 -23.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 75.2 111.197 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -52.42 -30.96 32.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.055 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -111.52 18.45 19.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.176 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp 52.43 28.67 6.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 75.5 111.272 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.55 96.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 53.42 110.844 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -64.0 100.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.776 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.434 HG23 ' O ' ' B' ' 31' ' ' SER . 16.3 mt -83.42 136.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 75.34 110.728 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 91.3 mt -74.73 -21.47 59.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 74.53 111.194 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.434 ' O ' HG23 ' B' ' 29' ' ' ILE . 0.9 OUTLIER -160.3 131.09 5.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 64.02 111.311 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.2 130.45 48.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.952 -0.567 . . . . 74.31 110.553 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 45' ' ' ARG . 41.3 t -159.6 132.71 6.93 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.828 -0.349 . . . . 72.05 111.509 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.06 126.67 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.308 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.7 m -136.55 152.77 50.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.921 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -84.08 136.86 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.7 -32.4 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.807 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.09 -92.44 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.279 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.28 -69.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 74.2 110.765 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -98.17 34.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.54 110.467 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 p -137.4 119.93 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.795 -0.639 . . . . 74.12 111.289 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.73 148.04 33.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 61.24 111.036 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 29.0 mt -130.11 114.2 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.226 -0.443 . . . . 62.24 111.374 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.04 151.63 20.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.693 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' B' ' 33' ' ' SER . 8.5 mtp85 -138.69 117.31 12.17 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.487 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -120.96 125.22 46.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.164 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 69.2 m -115.04 115.33 26.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.913 -0.585 . . . . 74.41 109.829 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CE1' HD12 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -145.78 171.32 14.94 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.023 0.44 . . . . 75.24 111.471 -179.472 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.43 159.86 17.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.853 -0.612 . . . . 73.22 110.608 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ptp -109.04 151.8 25.88 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.281 -0.418 . . . . 70.1 111.249 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.98 -63.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.92 -0.657 . . . . 74.52 112.349 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.38 140.91 21.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.638 0.256 . . . . 63.05 110.78 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.76 -34.92 2.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 74.11 112.489 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.84 -35.37 80.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.973 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -77.54 -43.72 31.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.756 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -32.53 64.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.277 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.42 -39.94 29.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.689 -0.767 . . . . 72.44 111.921 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -77.71 -29.3 51.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.725 0.298 . . . . 73.44 110.881 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.72 -48.12 78.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 60.14 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.37 -49.91 75.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.826 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.34 -37.41 83.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 70.35 110.565 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.87 98.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 62.43 110.82 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.12 -31.68 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 74.32 110.949 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -61.39 -28.69 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.857 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.4 -0.22 36.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 73.03 111.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.414 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 25.1 t -77.4 104.2 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 120.927 0.394 . . . . 74.32 110.633 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -52.28 119.75 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.913 -0.585 . . . . 70.54 110.939 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.18 -24.18 19.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 74.01 112.742 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 44.1 t -81.62 124.33 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 120.856 0.36 . . . . 75.03 110.988 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -68.42 -59.14 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.964 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.82 169.1 13.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.883 -0.599 . . . . 71.54 111.03 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.3 130.02 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.102 -0.499 . . . . 72.14 111.151 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -135.34 127.81 30.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.348 -0.387 . . . . 71.41 111.173 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.91 117.42 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 98.6 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 70.32 111.237 -179.894 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.902 0.382 . . . . 75.31 111.183 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t -82.27 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 73.35 111.258 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.53 168.42 9.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.99 -0.55 . . . . 74.21 110.633 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.43 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 79.6 mt -148.67 142.63 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.323 -0.399 . . . . 71.33 111.168 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -112.34 130.09 56.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.07 -0.514 . . . . 71.15 110.605 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 t -118.41 112.66 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.911 0.386 . . . . 64.13 111.323 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.23 128.7 35.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.054 -0.521 . . . . 72.24 110.526 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.49 163.74 35.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.392 -0.367 . . . . 73.52 111.309 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.18 153.69 4.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.846 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -65.43 77.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 71.14 111.132 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -153.5 125.91 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 75.44 110.745 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.44 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 30.3 t60 -57.54 -25.15 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 72.33 110.845 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -35.57 61.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 72.34 110.631 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.76 -43.54 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 74.31 110.617 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.41 -50.39 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.89 -0.595 . . . . 74.45 110.572 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 p -61.33 -37.04 81.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.844 -0.616 . . . . 64.41 110.496 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.85 -43.19 93.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.611 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -70.3 -34.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 75.21 110.665 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 m -69.26 -35.39 76.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 72.25 110.461 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -62.08 -40.08 94.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.525 . . . . 73.3 110.62 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.83 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.985 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.3 -55.66 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 75.54 110.816 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.09 -32.08 73.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.984 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -29.84 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.929 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -105.09 22.77 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.14 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 56.91 47.16 18.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.874 0.369 . . . . 53.02 110.939 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 t -97.41 122.59 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.139 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -82.24 123.04 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.02 110.797 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 ' HA ' ' HB3' ' A' ' 48' ' ' PHE . 36.0 mt -96.38 113.52 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.295 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.13 -29.9 60.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.819 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.27 166.13 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 72.51 110.703 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.6 145.63 5.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 74.05 111.282 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 91.2 p -163.78 136.97 5.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.338 -0.392 . . . . 71.53 111.182 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.02 142.56 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.4 111.291 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -136.62 148.23 47.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.853 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -73.0 110.01 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.926 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -66.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 63.51 111.064 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.64 -103.79 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.67 -0.776 . . . . 61.22 112.54 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -100.25 110.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 74.35 111.041 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mmt-85 58.55 38.08 25.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.31 132.24 45.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 74.23 111.145 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -131.01 116.03 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 74.01 111.211 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.464 HD13 HG21 ' A' ' 43' ' ' ILE . 18.6 mt -89.82 109.88 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.962 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.01 151.51 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.14 111.144 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -143.76 124.82 14.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.926 -0.579 . . . . 72.22 110.205 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -124.9 131.08 53.48 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.937 0.399 . . . . 72.43 111.546 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -106.45 115.79 30.82 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.886 -0.597 . . . . 74.21 110.386 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.45 ' N ' ' CD2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -150.68 158.92 44.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.219 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.66 163.8 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.901 -0.59 . . . . 65.5 110.749 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -148.74 154.7 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 73.44 111.115 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.07 -42.96 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.819 -0.705 . . . . 74.22 112.388 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.83 143.29 26.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.63 0.252 . . . . 72.15 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.32 -31.52 5.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.579 2.186 . . . . 73.44 112.451 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -62.89 -31.6 72.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.086 -0.506 . . . . 72.32 110.987 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -77.53 -44.38 28.86 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.244 -0.435 . . . . 71.35 110.681 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tt -71.3 -34.13 70.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 75.0 110.231 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.05 -38.57 34.9 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.761 -0.733 . . . . 74.1 111.904 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -75.9 -29.41 58.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.719 0.295 . . . . 71.33 110.889 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.46 -49.3 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.938 0.399 . . . . 71.53 110.913 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -58.16 -45.43 87.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 71.12 110.862 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.75 -40.89 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.76 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.67 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 71.12 110.822 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.49 -29.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 74.43 110.88 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.74 -30.27 69.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 71.53 110.723 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.75 -4.4 43.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 74.2 111.514 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.41 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 29.8 t -77.64 104.17 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.898 0.38 . . . . 74.54 110.642 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.51 119.6 5.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.033 -0.53 . . . . 74.1 110.719 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.72 24.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.777 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.41 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 46.8 t -84.81 125.34 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 120.881 0.372 . . . . 72.24 111.08 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.31 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 63.24 111.433 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -163.63 169.21 18.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 73.2 111.247 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.43 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 24.1 t -128.85 134.93 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.942 -0.572 . . . . 73.25 111.264 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.62 138.73 43.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.853 0.358 . . . . 63.23 111.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -69.25 122.99 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.79 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 77.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 75.21 111.148 -179.78 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 t . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.03 0.443 . . . . 74.44 111.336 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.69 128.96 45.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.803 -0.635 . . . . 72.13 110.956 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp -125.99 142.61 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 75.25 111.215 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.47 127.46 55.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.929 -0.578 . . . . 65.12 110.375 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.35 112.9 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 120.887 0.375 . . . . 62.13 111.516 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.13 137.31 32.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.13 -0.486 . . . . 75.13 110.634 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.36 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 75.53 111.248 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -57.98 143.45 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.32 101.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.935 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.24 174.44 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 62.53 110.822 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -97.68 -31.02 12.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.875 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.7 -35.47 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.965 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.81 -50.54 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 72.4 110.866 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.67 -49.43 76.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 73.21 110.682 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -61.43 -32.72 72.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.928 -0.578 . . . . 63.11 110.502 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -45.76 79.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 73.14 110.553 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.73 -45.23 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.972 -0.558 . . . . 75.1 110.612 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.438 ' CG2' ' CE1' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -68.64 -40.79 80.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.834 -0.621 . . . . 74.4 110.164 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -35.96 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 75.32 110.719 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.9 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 70.35 110.692 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.8 -32.54 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.797 -0.638 . . . . 75.11 110.621 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -27.24 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 75.2 111.128 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -56.76 -41.31 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 74.53 110.879 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.51 19.7 11.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 73.12 110.935 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm 53.94 26.2 6.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.308 -0.406 . . . . 75.5 111.125 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.2 t -58.38 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 53.42 110.572 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -64.0 100.6 0.32 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 74.34 111.203 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.44 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -92.53 132.54 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.284 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 47' ' ' THR . 9.0 mt -74.55 -22.42 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 74.53 111.2 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -141.68 138.54 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 64.02 111.242 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.64 121.62 11.36 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.953 -0.567 . . . . 74.31 110.529 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.3 m -161.99 134.72 5.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.802 0.334 . . . . 72.05 111.574 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -131.08 129.5 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.234 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -136.67 154.08 50.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.937 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -84.99 128.2 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.931 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.4 t -69.75 -66.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.892 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.55 -73.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.711 . . . . 71.54 112.429 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -141.06 -68.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.709 0.29 . . . . 74.2 110.891 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.58 37.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.613 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 t -137.33 122.9 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.002 -0.545 . . . . 74.12 111.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.43 114.55 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 61.24 111.001 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 30.6 mt -98.25 116.03 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.286 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 150.48 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.43 110.678 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' B' ' 33' ' ' SER . 8.1 mtt180 -133.53 117.19 16.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.266 -0.425 . . . . 75.41 110.388 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.417 ' CD2' HD11 ' B' ' 29' ' ' ILE . 54.6 m-85 -130.45 125.29 34.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.048 0.451 . . . . 74.55 111.266 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 30' ' ' LEU . 64.6 m -117.62 115.29 24.79 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.822 -0.626 . . . . 74.41 109.981 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.04 171.26 12.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.958 0.408 . . . . 75.24 111.612 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.24 165.83 14.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 73.22 110.587 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 5.9 ptm -108.85 148.54 30.45 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.958 0.408 . . . . 70.1 111.302 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.89 -61.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.612 . . . . 74.52 112.392 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -106.51 99.9 27.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.504 0.193 . . . . 63.05 110.874 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.27 -31.43 46.46 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.484 2.123 . . . . 74.11 112.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -36.37 83.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.961 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -77.3 -38.67 50.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.576 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.26 -30.97 63.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 53.33 110.047 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -44.61 22.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.773 -0.727 . . . . 72.44 111.845 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -29.48 60.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.31 . . . . 73.44 110.785 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tt -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.407 . . . . 60.14 110.824 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.76 -51.2 71.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 72.13 110.67 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.09 -36.29 81.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 70.35 110.473 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 62.43 110.692 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.74 -33.66 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 74.32 110.97 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -62.21 -29.58 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.866 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -82.7 2.26 34.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.653 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 23.1 t -81.08 104.15 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 120.908 0.385 . . . . 74.32 110.713 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.58 119.75 5.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.542 . . . . 70.54 110.926 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 -24.06 19.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.725 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.418 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 58.8 t -79.99 122.71 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.843 0.354 . . . . 75.03 110.953 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.78 -60.88 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 75.41 110.97 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -166.79 169.16 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 71.54 111.171 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.06 129.62 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.928 -0.578 . . . . 72.14 111.101 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.39 135.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.877 0.37 . . . . 71.41 111.253 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.97 120.27 15.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 73.22 110.972 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 70.32 111.134 -179.919 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.854 0.359 . . . . 75.31 111.231 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' VAL . . . . . 0.403 ' CG1' ' CG ' ' A' ' 74' ' ' ARG . 24.2 t -82.17 141.3 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.35 111.229 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.8 165.92 11.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.041 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 mm -139.87 132.08 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.376 -0.374 . . . . 71.33 111.491 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.12 104.79 14.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.987 -0.552 . . . . 71.15 110.506 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.9 t -102.98 112.83 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.32 -0.4 . . . . 64.13 111.365 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.02 132.86 35.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.24 110.846 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.3 166.88 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.371 -0.377 . . . . 73.52 111.201 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mt -48.44 146.42 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 53.54 111.199 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.96 82.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 71.14 111.226 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -153.54 139.87 18.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 75.44 110.882 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' HIS . . . . . 0.447 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 4.6 t60 -71.49 -9.69 58.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.464 -0.334 . . . . 72.33 110.995 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 72.34 110.785 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.42 -56.87 14.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.722 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.24 -34.04 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 74.45 110.72 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 p -66.81 -46.61 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.496 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.8 -41.19 97.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.662 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.2 t -66.6 -41.86 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 75.21 110.77 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 72.25 110.556 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -60.94 -37.61 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 73.3 110.658 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.84 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 74.43 110.958 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.7 mt -65.39 -46.18 81.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 75.54 110.818 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.14 -32.56 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.12 111.096 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.89 -32.76 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.946 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.29 19.46 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.189 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.92 34.8 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.082 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.5 t -82.34 115.36 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 74.14 111.036 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -74.88 111.58 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.02 110.921 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mt -96.38 125.93 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.044 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.11 -35.58 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 72.1 111.078 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -173.22 171.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 72.51 111.032 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.453 ' CB ' ' CE1' ' A' ' 46' ' ' PHE . . . -166.19 149.12 7.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 74.05 111.164 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.59 130.4 3.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 71.53 110.975 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.9 m -112.19 147.22 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.354 -0.385 . . . . 74.4 111.413 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 t -136.53 134.05 37.12 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.941 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.2 p -72.09 102.47 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 71.24 111.118 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 t -90.37 141.77 28.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 63.51 110.701 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.42 -103.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 61.22 112.337 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.78 -69.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 74.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.54 35.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 75.1 110.653 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.3 135.68 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 74.23 111.144 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.33 120.15 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.159 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.442 HD11 HG23 ' A' ' 43' ' ' ILE . 25.8 mt -89.9 115.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.111 -0.495 . . . . 75.33 110.809 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -97.96 136.04 38.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 73.14 111.157 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -118.42 141.5 48.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.11 -0.496 . . . . 72.22 110.593 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' PHE . . . . . 0.453 ' CE1' ' CB ' ' A' ' 32' ' ' ALA . 16.6 m-85 -147.86 125.52 11.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.994 0.426 . . . . 72.43 111.156 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -110.94 130.03 55.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.53 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' HD23 ' A' ' 56' ' ' LEU . 1.4 p90 -150.76 169.74 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 74.22 111.165 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -137.31 116.9 12.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.084 -0.507 . . . . 65.5 111.06 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -149.86 165.83 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.904 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.92 -32.44 2.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 74.22 112.667 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.42 109.32 1.67 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.596 0.236 . . . . 72.15 110.968 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.05 -33.76 9.2 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.464 2.11 . . . . 73.44 112.376 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -33.38 75.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 72.32 110.897 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -77.44 -44.47 28.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.603 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' CZ ' ' A' ' 48' ' ' PHE . 2.1 mp -71.13 -33.52 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.87 -40.3 36.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.707 -0.759 . . . . 74.1 111.84 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -73.44 -32.49 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 71.33 110.773 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.72 -47.07 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.0 0.429 . . . . 71.53 110.944 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.56 -48.94 77.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.852 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.684 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.94 92.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 71.12 110.77 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.3 t -57.92 -30.71 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 74.43 110.874 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -61.55 -27.23 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.53 110.951 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -86.63 9.05 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 74.2 111.586 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 21.7 t -85.39 104.21 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.889 0.375 . . . . 74.54 110.858 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -55.27 120.64 7.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 74.1 110.63 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -22.29 23.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 72.24 112.626 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 46.5 t -84.58 125.51 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-O 120.815 0.341 . . . . 72.24 111.122 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -73.4 -56.91 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.256 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -166.76 169.16 13.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.98 -0.554 . . . . 73.2 110.962 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.23 140.78 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.397 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -135.4 127.0 28.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.874 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.403 ' CG ' ' CG1' ' A' ' 2' ' ' VAL . 5.8 ttm180 -69.13 109.3 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.025 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t . . . . . 0 N--CA 1.453 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.062 -179.987 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.853 0.359 . . . . 74.44 111.259 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.51 156.54 18.12 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.066 -0.515 . . . . 72.13 111.006 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 58.0 mt -146.49 144.88 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.366 -0.379 . . . . 75.25 111.481 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.93 122.5 42.4 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.106 -0.497 . . . . 65.12 110.617 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.48 112.79 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.273 -0.421 . . . . 62.13 111.589 -179.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -90.48 130.17 36.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.587 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' B' ' 69' ' ' VAL . . . -159.31 161.1 35.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 75.53 111.225 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.11 144.13 24.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.774 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -73.71 76.06 1.55 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 73.03 111.433 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -126.21 140.23 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 62.53 110.626 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -53.8 -50.5 65.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 73.15 111.447 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -37.32 81.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 73.14 111.175 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -39.66 79.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 72.4 111.045 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.77 -52.48 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.458 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.3 m -61.24 -32.48 72.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.837 -0.62 . . . . 63.11 110.295 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.14 -45.06 86.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 73.14 110.626 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -65.18 -47.02 89.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 75.1 110.63 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -36.02 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.863 -0.608 . . . . 74.4 110.185 179.485 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -68.59 -39.66 80.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 75.32 110.631 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.14 95.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 70.35 110.655 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.65 -31.49 63.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.813 -0.63 . . . . 75.11 110.602 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.78 -22.8 49.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 75.2 111.25 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.48 -34.47 49.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.386 -0.37 . . . . 74.53 111.017 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -109.3 19.78 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.029 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmpm? 54.02 27.56 7.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.387 -0.37 . . . . 75.5 111.218 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.38 92.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 53.42 110.729 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.96 100.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 74.34 110.882 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' ILE . . . . . 0.447 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 4.7 mt -84.63 136.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 75.34 110.22 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 47' ' ' THR . 8.7 mt -74.4 -25.25 59.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 74.53 110.56 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.1 OUTLIER -151.0 135.19 16.8 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.16 -0.473 . . . . 64.02 110.51 179.254 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -133.73 126.73 31.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.578 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.2 m -161.82 141.57 10.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.977 0.417 . . . . 72.05 111.698 -179.776 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -131.09 134.57 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.028 -0.533 . . . . 74.14 111.045 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -136.58 154.01 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.009 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 7.5 t -58.39 137.38 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.898 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.4 t -94.01 -29.5 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.022 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.35 -116.59 0.66 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.529 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.33 106.6 18.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 74.2 110.949 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.8 ttm105 56.7 38.25 29.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 65.54 110.991 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.27 145.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.122 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.3 130.24 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.408 . . . . 61.24 111.049 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.6 tp -111.46 130.36 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.263 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -97.94 158.16 15.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.53 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 33' ' ' SER . 2.4 ttt-85 -138.93 117.71 12.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.289 -0.414 . . . . 75.41 110.342 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' B' ' 29' ' ' ILE . 88.8 m-85 -125.7 125.21 42.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.252 -0.431 . . . . 74.55 111.569 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 47' ' ' THR . . . . . 0.444 ' O ' ' N ' ' B' ' 30' ' ' LEU . 48.4 m -112.18 115.06 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.866 -0.606 . . . . 74.41 109.553 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -138.0 171.42 14.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 75.24 111.583 -179.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -88.16 165.39 15.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.696 -0.684 . . . . 73.22 110.737 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.07 158.25 17.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.31 -0.404 . . . . 70.1 111.191 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.21 -57.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.839 -0.696 . . . . 74.52 112.547 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.38 100.95 32.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.63 0.253 . . . . 63.05 110.966 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.59 -33.81 60.23 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.503 2.135 . . . . 74.11 112.369 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.23 -38.26 89.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 73.14 110.972 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -77.58 -42.19 36.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 74.11 110.717 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -71.46 -32.91 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.17 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.11 -39.58 26.96 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 72.44 111.879 179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -26.65 52.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.689 0.281 . . . . 73.44 110.889 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.28 -46.41 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.419 . . . . 60.14 110.997 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.66 -50.76 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.88 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.79 -36.49 81.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 70.35 110.536 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.48 96.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.729 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 22.4 t -56.5 -30.8 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 74.32 111.003 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -30.88 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.12 110.777 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -76.12 -5.2 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.467 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 66' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 35.2 t -75.44 104.13 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.858 0.361 . . . . 74.32 110.601 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.87 119.52 4.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 70.54 110.866 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.83 20.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 74.01 112.768 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 65.3 t -80.42 118.8 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.882 0.373 . . . . 75.03 111.05 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.15 -51.07 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 75.41 111.179 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.7 169.15 13.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.23 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 72' ' ' VAL . . . . . 0.408 ' CG1' ' CG2' ' B' ' 4' ' ' ILE . 21.5 t -131.43 136.42 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.047 -0.524 . . . . 72.14 110.961 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.57 138.06 42.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.871 0.367 . . . . 71.41 111.565 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -71.85 117.91 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 73.22 110.565 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.7 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.027 0.441 . . . . 70.32 111.396 -179.501 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.877 0.37 . . . . 2.94 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.05 146.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 1.45 111.221 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.22 170.93 7.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.186 -0.461 . . . . 1.24 111.016 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.407 HD12 ' CE2' ' A' ' 48' ' ' PHE . 29.2 mt -136.83 134.07 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.333 -0.394 . . . . 1.7 111.462 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -108.03 104.55 14.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.093 -0.503 . . . . 1.51 110.435 179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.6 t -103.17 112.66 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.255 -0.43 . . . . 1.09 111.568 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -90.3 127.94 36.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.124 -0.489 . . . . 2.0 110.534 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.36 165.21 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.898 0.38 . . . . 1.16 111.355 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 57.4 mt -54.16 148.18 11.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 2.39 110.949 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -65.06 84.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 2.15 111.278 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -153.71 124.4 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 3.38 110.682 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.421 ' CG ' HD13 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -58.27 -30.37 66.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.793 0.33 . . . . 2.2 110.645 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -38.56 64.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 3.69 110.819 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.4 mt -64.87 -43.73 92.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 1.91 110.694 179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.5 -46.1 89.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 2.34 110.602 179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 t -61.84 -40.78 96.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 1.71 110.424 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.79 -43.48 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 1.75 110.583 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.4 t -66.23 -40.01 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.016 -0.538 . . . . 1.24 110.837 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.9 m -65.6 -36.88 85.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 1.15 110.424 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.98 -41.4 96.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 3.58 110.54 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.52 87.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 1.27 110.816 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.65 -49.73 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.971 -0.559 . . . . 1.35 110.773 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.05 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 1.17 111.068 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -59.62 -31.05 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 1.62 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 23.74 13.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 2.57 111.118 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mttt 56.73 32.44 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.386 -0.37 . . . . 3.93 111.021 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.3 t -80.94 97.55 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 1.4 111.117 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.21 113.5 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 2.96 110.907 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.49 128.77 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 1.37 111.131 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.64 -34.03 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 1.53 110.957 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -173.02 169.44 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.66 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.09 151.73 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 1.11 111.227 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -163.72 132.82 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 1.8 110.776 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -123.27 140.78 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.326 -0.397 . . . . 1.8 111.424 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -136.75 151.49 49.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.029 -0.532 . . . . 2.03 110.769 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -74.13 108.94 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 1.95 111.055 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -59.14 -56.32 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 1.54 110.876 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.73 -87.7 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.833 -0.698 . . . . 1.34 112.406 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.73 -76.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 2.69 110.73 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -96.81 33.35 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.06 0.457 . . . . 4.62 110.417 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.1 m -137.96 125.86 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 1.98 111.16 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.91 125.91 44.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 1.21 111.305 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.1 mt -89.64 111.12 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 2.22 110.815 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -97.85 129.81 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.64 111.233 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.25 142.16 43.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.061 -0.518 . . . . 3.8 110.61 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.59 125.45 17.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.923 0.392 . . . . 2.84 111.365 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -110.43 116.28 31.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.971 -0.559 . . . . 1.32 110.583 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.415 ' CE1' ' HG3' ' A' ' 50' ' ' MET . 0.4 OUTLIER -151.1 146.84 26.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 2.24 111.166 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.74 145.44 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 2.47 110.806 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.415 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 1.1 mmt -150.06 161.46 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 5.27 111.088 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.76 -41.54 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 1.44 112.453 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.76 133.15 40.28 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.543 0.211 . . . . 1.99 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -78.04 -27.9 5.33 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.53 2.153 . . . . 1.44 112.46 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -60.02 -37.38 79.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 3.8 110.971 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -44.53 37.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 3.75 110.558 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.42 -31.99 72.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 2.44 110.059 179.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.82 -43.8 33.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.773 -0.727 . . . . 0.84 111.851 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -31.03 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.727 0.299 . . . . 3.35 110.954 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.34 -47.8 84.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.943 0.401 . . . . 2.23 111.019 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.33 -48.2 81.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.988 -0.551 . . . . 1.92 110.924 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.49 -38.59 87.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 2.06 110.733 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.9 97.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 1.22 110.82 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 12.1 t -57.72 -29.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 1.16 110.853 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -60.76 -29.77 69.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 3.5 110.776 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.17 -1.57 40.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 1.67 111.519 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 21.5 t -77.87 103.49 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.811 0.338 . . . . 1.18 110.869 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -52.56 120.12 5.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 2.43 110.661 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.18 24.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.48 112.563 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.407 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 47.9 t -87.37 124.25 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 120.871 0.367 . . . . 1.17 111.073 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -54.82 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.94 111.165 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -166.82 169.3 13.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.03 -0.532 . . . . 1.97 111.041 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.3 t -126.54 139.54 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.17 -0.468 . . . . 1.14 111.258 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -135.77 124.59 23.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.212 -0.449 . . . . 2.72 111.048 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -63.54 113.7 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 3.49 110.821 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.7 t -85.85 137.83 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 1.26 111.262 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 p -148.56 162.41 39.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 3.0 110.877 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.7 m -133.29 163.65 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 4.96 110.93 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -144.68 142.16 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 5.07 111.104 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.196 -0.907 . . . . 6.86 111.114 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 tp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.815 0.34 . . . . 2.52 111.166 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.1 138.37 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.206 -0.452 . . . . 1.31 111.242 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.68 167.88 10.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.15 -0.477 . . . . 1.15 111.074 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.425 HG23 HD12 ' B' ' 4' ' ' ILE . 34.3 mt -142.23 131.96 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.349 -0.387 . . . . 1.79 111.452 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -107.15 113.39 26.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.116 -0.493 . . . . 1.54 110.708 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.43 112.85 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.304 -0.407 . . . . 1.11 111.399 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -94.09 135.2 35.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.94 110.801 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.37 161.68 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 1.18 111.201 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.24 142.14 44.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 2.58 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 33.2 t0 -65.63 90.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 2.09 111.067 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -136.14 171.09 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.67 110.801 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.42 -12.57 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 3.14 111.333 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -100.5 -33.71 10.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 4.15 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -58.41 -40.72 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 2.03 110.958 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -56.96 15.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.06 -0.518 . . . . 2.57 110.316 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -58.85 -28.78 66.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 1.74 110.204 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -48.11 74.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.56 110.327 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 47.2 t -65.41 -44.09 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.544 . . . . 1.16 110.413 179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.88 -37.38 84.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 1.28 110.098 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -44.97 59.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.765 -0.652 . . . . 3.26 110.853 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.03 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 1.17 110.74 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.8 mt -78.64 -32.7 47.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.782 -0.644 . . . . 1.23 110.551 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.36 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 1.43 111.063 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.86 -28.3 9.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 2.02 111.035 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.04 16.34 22.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 2.25 111.185 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 mttt 50.95 30.33 5.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.464 -0.334 . . . . 3.24 111.264 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.93 97.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 1.26 110.747 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.72 110.58 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 2.23 110.834 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.421 HD13 ' CG ' ' A' ' 12' ' ' HIS . 17.4 mt -96.38 136.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.619 . . . . 1.11 110.65 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 47' ' ' THR . 94.2 mt -74.23 -22.29 59.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 1.39 111.037 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.04 130.83 3.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.056 0.455 . . . . 1.66 111.115 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.4 126.84 41.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.955 -0.566 . . . . 1.08 110.508 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.3 p -156.75 141.18 16.67 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 1.56 111.606 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.411 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 10.5 p -131.37 134.61 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.955 -0.566 . . . . 1.25 111.142 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.8 p -136.76 143.83 43.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.123 -0.489 . . . . 2.18 110.967 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.5 p -76.39 128.16 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.87 110.964 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.38 -67.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 2.16 110.898 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -70.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.821 -0.704 . . . . 1.42 112.442 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -68.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 2.22 110.809 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -97.04 37.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 4.49 110.578 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 122.5 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.0 -0.546 . . . . 2.17 111.282 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -113.77 115.84 28.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 1.26 110.968 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 29.8 mt -102.87 113.93 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.156 -0.474 . . . . 2.14 111.366 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.411 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 25.0 m -97.9 154.44 17.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.71 110.527 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.96 116.69 10.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.791 0.329 . . . . 3.24 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 15.9 m-30 -116.2 124.78 51.11 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.004 -0.543 . . . . 2.28 111.085 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' LEU . 61.8 m -111.56 117.59 33.41 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.016 -0.538 . . . . 1.17 109.913 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -146.35 171.95 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 2.56 111.448 -179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -87.59 162.69 17.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.901 -0.591 . . . . 2.25 110.757 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.99 163.15 13.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.956 0.408 . . . . 5.49 111.261 -179.615 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.56 -64.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.929 -0.653 . . . . 1.51 112.219 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.48 128.8 25.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.57 0.224 . . . . 2.06 110.701 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -29.29 17.1 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.418 2.078 . . . . 1.8 112.404 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -64.92 -37.07 86.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 3.65 110.929 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -76.45 -44.52 35.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 2.92 110.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.6 tt -67.03 -32.08 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 2.26 110.081 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.51 27.01 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.746 -0.74 . . . . 0.83 111.866 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.27 -26.59 62.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.716 0.293 . . . . 3.12 110.811 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.84 -54.04 49.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 2.35 110.888 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -47.9 80.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.964 -0.562 . . . . 1.8 110.786 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -35.56 79.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 1.94 110.663 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.08 -45.0 82.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 1.31 110.785 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 17.5 t -57.1 -30.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 1.14 111.005 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -61.61 -29.99 70.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 3.13 110.74 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -81.08 0.26 36.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.42 111.569 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.0 t -82.2 103.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.885 0.374 . . . . 1.19 110.78 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -53.7 119.77 5.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.059 -0.518 . . . . 2.66 110.985 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.29 -24.3 18.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.52 112.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.413 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 46.5 t -80.44 124.91 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.811 0.339 . . . . 1.52 110.983 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 3.05 111.012 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.87 169.24 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 1.56 111.114 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -123.74 136.73 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.006 -0.543 . . . . 1.09 111.131 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.44 124.81 24.78 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.288 -0.415 . . . . 2.67 111.252 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.1 112.85 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 3.6 110.783 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.3 t -85.79 143.08 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 1.29 111.238 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -176.94 -76.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 3.02 110.799 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 42.0 m 59.1 -174.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 5.13 110.975 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.31 108.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 4.9 111.058 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.284 -0.865 . . . . 6.78 111.085 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.882 0.372 . . . . 75.31 111.178 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.1 143.5 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.091 -0.504 . . . . 73.35 111.243 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.421 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -100.62 159.54 15.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.4 HG22 HD12 ' A' ' 4' ' ' ILE . 25.2 mt -137.34 134.44 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 120.973 0.416 . . . . 71.33 111.666 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -106.9 105.37 15.37 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.975 -0.557 . . . . 71.15 110.332 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.6 112.87 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.902 0.382 . . . . 64.13 111.553 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.23 124.18 37.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.056 -0.52 . . . . 72.24 110.568 179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.32 161.75 35.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 73.52 111.182 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.8 mt -49.85 145.19 5.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 53.54 111.011 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 15.0 p-10 -60.38 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.14 111.133 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -152.91 121.51 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 75.44 110.624 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.427 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 1.5 t60 -58.57 -30.77 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.692 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -53.5 -37.46 62.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 72.34 110.831 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.9 mt -65.69 -42.23 91.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 74.31 110.627 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.66 -52.43 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.553 . . . . 74.45 110.61 179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -60.99 -35.43 76.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.624 . . . . 64.41 110.499 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -42.6 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 74.11 110.533 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 26.3 t -67.72 -38.47 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 75.21 110.817 179.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.4 m -67.28 -37.33 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 72.25 110.487 179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -62.56 -40.54 97.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 73.3 110.718 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.2 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 74.43 110.823 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 85.6 mt -66.6 -56.18 11.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 75.54 110.799 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.09 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.028 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.29 -29.91 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.865 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -103.7 22.86 13.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.994 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp 62.68 38.66 11.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 53.02 110.969 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.8 t -94.66 121.85 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 74.14 111.003 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.35 117.45 29.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.027 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.9 129.05 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.031 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -75.09 -41.49 58.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.051 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -173.37 171.65 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 72.51 111.04 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.92 158.14 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.199 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 t -163.71 124.69 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.39 . . . . 71.53 110.929 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 12.1 p -121.08 139.09 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.293 -0.412 . . . . 74.4 111.375 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.5 m -136.66 137.52 40.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.05 -0.523 . . . . 73.22 110.86 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 111.85 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 71.24 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.8 t -60.67 -66.91 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 63.51 110.882 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -89.05 1.46 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.761 -0.733 . . . . 61.22 112.382 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.47 -72.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.35 110.789 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.27 35.5 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.039 0.447 . . . . 75.1 110.517 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.4 121.82 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 74.23 111.235 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -120.17 116.8 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.183 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 14.5 mt -89.85 111.82 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.964 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.04 132.03 43.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.14 111.095 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.47 117.26 29.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.178 -0.465 . . . . 72.22 110.428 179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -109.02 159.36 16.9 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.954 0.407 . . . . 72.43 111.43 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.7 m -145.6 115.27 7.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.799 -0.637 . . . . 74.21 110.308 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -150.78 171.16 17.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.336 -0.393 . . . . 74.22 111.218 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -88.53 149.72 23.47 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.07 -0.514 . . . . 65.5 110.701 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -109.15 160.48 16.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.888 0.375 . . . . 73.44 111.26 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.86 -78.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.946 -0.645 . . . . 74.22 112.286 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 141.91 23.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.622 0.249 . . . . 72.15 110.754 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -74.33 -19.15 19.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 73.44 112.684 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -41.96 87.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 72.32 111.19 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 56' ' ' LEU . 8.3 p80 -77.44 -38.17 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.733 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' N ' ' ND1' ' A' ' 55' ' ' HIS . 6.2 tp -74.84 -32.98 62.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 75.0 110.084 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.75 -41.52 34.19 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.805 -0.712 . . . . 74.1 111.765 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -75.87 -32.71 59.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.821 0.343 . . . . 71.33 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 14.1 mt -63.25 -48.01 80.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.53 110.933 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -57.21 -48.52 78.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 71.12 110.822 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -61.12 -40.93 95.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.634 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.18 95.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 71.12 110.873 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.8 t -58.45 -29.86 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.898 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -62.18 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.53 110.842 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -85.69 6.58 27.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.288 -0.415 . . . . 74.2 111.568 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.6 t -81.55 104.15 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 120.858 0.361 . . . . 74.54 110.797 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.18 120.07 5.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 74.1 110.675 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.15 -21.77 24.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 72.24 112.652 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.2 t -87.52 124.7 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.789 0.328 . . . . 72.24 111.215 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -54.88 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 63.24 111.256 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -166.74 169.2 13.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.083 -0.508 . . . . 73.2 111.072 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.42 135.89 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.157 -0.474 . . . . 73.25 111.339 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 135.17 40.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.332 -0.395 . . . . 63.23 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -67.02 114.26 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.24 110.901 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.421 ' HB ' ' CB ' ' A' ' 3' ' ' ALA . 5.9 t -85.99 161.67 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 81.9 p -136.98 -47.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 75.33 110.946 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.47 118.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 75.34 110.882 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -144.76 132.33 20.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 51.12 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.226 -0.893 . . . . 65.1 111.123 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.731 0.3 . . . . 74.32 111.268 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t -128.01 140.16 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.337 -0.392 . . . . 74.44 111.344 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.413 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -102.84 156.9 17.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.129 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 17.3 mt -134.11 132.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.399 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -107.62 106.5 16.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.085 -0.507 . . . . 65.12 110.547 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.55 112.91 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 120.906 0.384 . . . . 62.13 111.605 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -97.44 137.66 36.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.063 -0.517 . . . . 75.13 110.594 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.36 161.82 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.917 0.389 . . . . 75.53 111.334 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.9 pp -62.21 149.75 40.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 73.32 110.886 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.66 110.99 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.03 111.069 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -153.43 132.56 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 62.53 110.81 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -29.77 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.15 111.172 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -89.72 -19.8 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.19 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -42.54 84.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.385 . . . . 72.4 110.984 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -59.27 -56.92 15.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 73.21 110.457 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.4 m -57.84 -30.46 65.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.738 -0.664 . . . . 63.11 110.368 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 73.14 110.47 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.417 HG11 ' CE2' ' B' ' 46' ' ' PHE . 40.5 t -66.66 -40.4 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.27 -37.26 77.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 74.4 110.223 179.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.47 -40.49 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 75.32 110.652 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.78 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 70.35 110.762 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.07 -33.15 61.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 75.11 110.643 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.33 -23.32 60.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.998 -0.547 . . . . 75.2 111.277 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -49.63 -28.15 5.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.428 -0.351 . . . . 74.53 111.195 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 21.93 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 73.12 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 51.29 32.11 7.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 75.5 111.156 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 30.6 t -58.68 100.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 53.42 110.855 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.44 107.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.34 110.845 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.427 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 8.5 mt -96.36 128.08 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 75.34 110.633 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 47' ' ' THR . 23.3 mt -74.66 -30.82 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.413 . . . . 74.53 110.411 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -136.03 131.27 34.73 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.098 -0.501 . . . . 64.02 110.933 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.31 122.16 19.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.482 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.9 t -157.02 133.06 9.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.931 0.396 . . . . 72.05 111.537 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.19 130.0 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.017 -0.538 . . . . 74.14 111.214 179.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -136.66 154.07 50.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.104 -0.498 . . . . 74.32 110.842 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.9 p -92.77 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.931 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -97.47 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.804 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.21 -120.71 1.41 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.857 -0.687 . . . . 71.54 112.444 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.69 -70.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 74.2 110.778 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -97.53 36.61 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 65.54 110.519 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -137.33 113.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.926 -0.579 . . . . 74.12 111.403 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.52 145.28 40.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 61.24 110.949 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mt -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 116.255 -0.43 . . . . 62.24 111.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 12.5 m -116.5 149.22 39.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.749 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -134.82 117.32 15.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.418 ' CE2' ' HB3' ' B' ' 44' ' ' SER . 60.5 m-85 -124.23 125.31 44.19 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.973 0.416 . . . . 74.55 111.502 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.0 m -112.98 127.62 56.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.905 -0.589 . . . . 74.41 109.9 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CZ ' ' CD2' ' B' ' 56' ' ' LEU . 1.9 p90 -144.81 151.12 38.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 75.24 111.499 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -103.24 117.35 34.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.873 -0.603 . . . . 73.22 110.858 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mtt -149.94 154.45 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 70.1 111.103 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.73 -28.11 4.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 74.52 112.445 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.92 110.92 10.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.563 0.221 . . . . 63.05 110.845 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.23 -27.04 35.32 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.082 . . . . 74.11 112.393 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -33.29 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -77.47 -44.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.648 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.422 ' CD2' ' CZ ' ' B' ' 48' ' ' PHE . 4.5 mp -69.93 -32.07 70.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 53.33 110.145 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.15 -42.46 28.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.714 -0.755 . . . . 72.44 111.891 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -72.48 -29.91 64.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 73.44 110.853 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 18.9 tp -62.21 -46.57 88.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.309 -0.405 . . . . 60.14 110.925 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.77 -50.25 74.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 72.13 110.768 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.86 -37.63 82.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 70.35 110.634 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.18 98.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 62.43 110.667 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 19.4 t -56.13 -30.77 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 74.32 111.005 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -60.21 -31.86 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.72 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.67 -6.52 52.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.444 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.415 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.6 t -77.39 104.18 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.889 0.376 . . . . 74.32 110.724 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.79 120.2 5.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 70.54 110.936 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.16 -24.08 19.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 74.01 112.752 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.415 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 99.4 t -78.12 115.13 19.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.886 0.374 . . . . 75.03 110.956 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -52.34 26.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.041 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 71.54 111.156 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.02 139.82 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.962 -0.563 . . . . 72.14 111.079 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -135.44 123.52 22.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.385 -0.37 . . . . 71.41 111.211 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -64.84 113.73 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.666 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 23.6 t -85.94 148.07 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.32 111.238 -179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -171.86 171.82 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 71.34 110.819 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -172.34 131.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 64.34 110.891 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.7 101.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.073 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.179 -0.915 . . . . 73.41 111.133 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 75.31 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.25 145.48 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 73.35 111.239 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.77 165.09 11.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.928 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.414 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 34.2 mt -140.78 139.84 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.277 -0.42 . . . . 71.33 111.333 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -109.39 104.68 13.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.776 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 22.0 t -103.27 112.73 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.205 -0.452 . . . . 64.13 111.265 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -92.71 129.96 38.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.49 . . . . 72.24 110.538 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.48 164.46 34.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 73.52 111.293 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 45.6 mt -52.12 144.5 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 53.54 111.055 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -64.09 80.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.144 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -153.51 124.93 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 75.44 110.738 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.443 ' CE1' HG23 ' B' ' 19' ' ' THR . 70.0 t60 -58.58 -27.62 64.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 72.33 110.827 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -40.58 72.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.983 0.42 . . . . 72.34 110.719 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.3 mt -63.59 -41.32 98.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 74.31 110.643 179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.6 -49.45 76.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.561 . . . . 74.45 110.62 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -60.78 -40.96 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 64.41 110.532 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.4 -41.64 98.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 74.11 110.667 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.6 t -67.84 -37.13 77.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 75.21 110.853 179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -67.21 -38.5 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 72.25 110.546 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.53 -39.22 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 73.3 110.719 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.82 84.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.913 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 65.3 mt -65.82 -54.69 23.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 75.54 110.844 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.23 73.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.12 111.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.51 -30.72 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.867 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.03 22.56 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.53 111.15 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt 59.81 45.29 12.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 53.02 110.996 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.6 t -104.05 85.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.069 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -64.18 120.6 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -96.35 128.05 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.061 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -75.04 -31.01 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.956 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.32 168.07 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.01 151.51 5.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 74.05 111.32 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.416 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 10.9 t -163.65 132.04 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.91 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.0 p -123.34 141.62 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.556 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 t -136.52 154.06 50.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.032 -0.531 . . . . 73.22 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -63.51 113.3 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.24 111.045 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.2 t -66.93 -38.52 86.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 63.51 111.045 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 173.93 -104.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.68 -0.771 . . . . 61.22 112.647 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -98.69 110.07 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 74.35 111.099 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 53.5 36.1 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 75.1 111.05 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.47 142.15 37.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 74.23 110.972 179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.07 121.78 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.01 111.315 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.9 mt -89.82 107.83 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 75.33 110.808 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 133.49 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 73.14 111.22 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -112.24 133.31 54.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.071 -0.513 . . . . 72.22 110.592 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -123.64 125.58 45.06 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.332 -0.395 . . . . 72.43 111.247 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -114.42 120.45 40.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.958 -0.565 . . . . 74.21 110.511 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.411 ' CE2' HD13 ' A' ' 4' ' ' ILE . 1.4 p90 -150.7 171.14 17.63 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.098 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.53 165.78 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 65.5 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.4 ' CE ' ' CD2' ' A' ' 56' ' ' LEU . 2.0 mtp -109.07 162.32 14.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.211 -0.449 . . . . 73.44 111.097 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.37 -63.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.844 -0.693 . . . . 74.22 112.414 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -106.32 101.05 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.605 0.241 . . . . 72.15 110.98 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_exo -51.63 -33.83 50.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.096 . . . . 73.44 112.364 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -67.68 -30.34 69.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 72.32 111.05 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -77.24 -44.32 30.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.624 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' CD2' ' CE ' ' A' ' 50' ' ' MET . 4.6 pp -72.32 -29.26 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 75.0 110.044 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.63 -46.6 24.08 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.832 -0.699 . . . . 74.1 111.835 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -71.93 -32.78 67.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.815 0.341 . . . . 71.33 110.634 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.5 tp -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.53 110.755 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -60.01 -48.28 82.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 71.12 110.795 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -60.95 -40.96 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.632 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.25 99.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 71.12 110.892 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 37.5 t -58.23 -29.46 37.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 74.43 110.904 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -27.87 69.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 71.53 110.73 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.39 -1.51 41.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.528 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.6 t -73.97 104.17 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 120.914 0.387 . . . . 74.54 110.636 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.86 119.93 4.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.087 -0.506 . . . . 74.1 110.735 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -22.65 22.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.24 112.559 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.6 t -87.18 126.88 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.825 0.345 . . . . 72.24 111.143 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.7 -54.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.246 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -166.75 168.97 13.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 73.2 111.097 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 35.7 t -131.19 129.23 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.121 -0.49 . . . . 73.25 111.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -135.55 131.0 35.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.417 -0.356 . . . . 63.23 111.334 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -62.95 126.16 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 75.24 110.729 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 27.7 t -85.83 131.34 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 75.21 111.205 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.2 p -163.13 -178.04 5.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 75.33 110.832 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.0 28.69 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 75.34 110.988 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 56.87 75.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 51.12 111.221 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.894 . . . . 65.1 111.124 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.9 tt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.777 0.322 . . . . 74.32 111.207 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -128.02 139.68 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.191 -0.459 . . . . 74.44 111.286 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.15 153.95 20.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.126 -0.488 . . . . 72.13 111.106 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 48.7 mt -139.69 133.41 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.162 -0.472 . . . . 75.25 111.007 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 -107.87 127.46 53.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.156 -0.475 . . . . 65.12 110.9 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -111.55 112.9 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.214 -0.448 . . . . 62.13 111.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.62 139.91 31.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.45 160.62 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 75.53 111.235 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.1 153.76 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.871 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -62.47 113.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.03 111.072 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.32 176.82 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.53 110.942 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -111.16 -32.73 6.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 73.15 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -27.16 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 73.14 111.028 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 20.5 mt -54.01 -39.08 65.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 72.4 111.027 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.5 -53.68 55.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.337 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.32 -34.42 72.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 63.11 110.259 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.55 -45.06 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 73.14 110.488 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -65.65 -42.5 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 75.1 110.596 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.443 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.0 -38.21 90.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 74.4 110.393 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -42.83 85.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 75.32 110.78 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.25 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 70.35 110.836 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 6.6 mt -72.97 -30.79 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.715 -0.675 . . . . 75.11 110.538 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.92 62.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.985 -0.552 . . . . 75.2 111.184 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -33.98 55.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.342 -0.39 . . . . 74.53 110.826 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.48 18.47 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 73.12 110.992 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.91 28.62 2.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 75.5 111.17 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.13 93.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 53.42 110.591 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.81 100.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.34 110.682 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.423 ' HB ' ' HB2' ' A' ' 12' ' ' HIS . 5.1 mt -84.48 130.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 75.34 110.426 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' B' ' 47' ' ' THR . 16.8 mt -74.53 -30.47 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.858 0.361 . . . . 74.53 110.27 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.402 ' HB2' ' HB ' ' B' ' 47' ' ' THR . 4.4 m -134.4 131.36 38.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.028 -0.533 . . . . 64.02 110.919 179.262 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.76 121.47 20.78 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.005 -0.543 . . . . 74.31 110.31 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 45' ' ' ARG . 37.0 p -158.66 130.17 6.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.767 -0.373 . . . . 72.05 111.706 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.08 108.52 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.143 179.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.96 154.13 26.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.082 -0.508 . . . . 74.32 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.33 124.5 36.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 4.0 p -102.04 167.79 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.838 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 46.08 -95.14 0.01 OUTLIER Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.943 -0.646 . . . . 71.54 112.747 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.98 -67.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 74.2 110.897 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -98.45 35.98 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 65.54 110.833 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 12.6 p -137.34 136.79 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.015 -0.538 . . . . 74.12 111.304 179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.57 149.62 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 61.24 111.026 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 19.0 mm -130.12 123.32 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.253 -0.431 . . . . 62.24 111.491 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.07 147.61 29.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 61.43 110.456 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' B' ' 33' ' ' SER . 10.6 ttm-85 -134.97 117.26 15.6 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.344 -0.389 . . . . 75.41 110.355 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -126.11 125.22 42.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.079 0.466 . . . . 74.55 111.434 -179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' LEU . 25.5 m -113.28 119.38 37.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.754 -0.657 . . . . 74.41 109.752 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.428 ' CD1' ' N ' ' B' ' 48' ' ' PHE . 0.1 OUTLIER -137.78 146.84 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 75.24 111.504 -179.325 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -88.78 114.52 25.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.95 -0.568 . . . . 73.22 110.843 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 92.3 mtp -149.85 159.64 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 70.1 111.029 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.01 -44.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 74.52 112.449 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.88 109.44 1.99 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.612 0.244 . . . . 63.05 110.872 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.53 -17.39 48.14 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.526 2.15 . . . . 74.11 112.578 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.83 -43.9 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 73.14 111.178 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -77.49 -44.39 28.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.742 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.25 -32.8 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.416 . . . . 53.33 110.085 179.31 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.43 -41.78 29.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.711 -0.757 . . . . 72.44 111.8 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -29.68 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 73.44 110.817 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 12.8 tp -61.66 -44.91 96.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.962 0.411 . . . . 60.14 110.928 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -51.63 68.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.863 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.0 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 70.35 110.704 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.21 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.674 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.5 -33.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.951 -0.568 . . . . 74.32 111.132 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -60.41 -29.17 68.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.764 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -74.88 -12.18 60.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.415 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.412 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.0 t -74.28 104.05 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.902 0.382 . . . . 74.32 110.764 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -50.42 120.48 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 70.54 110.895 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.13 19.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 74.01 112.703 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.412 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 58.7 t -75.51 117.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.859 0.361 . . . . 75.03 110.825 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -54.2 14.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 75.41 111.022 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -166.83 169.04 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 71.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.06 138.94 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.135 -0.484 . . . . 72.14 111.006 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.42 132.59 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 71.41 111.298 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -70.32 109.23 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.718 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.41 ' CG1' ' N ' ' B' ' 76' ' ' THR . 86.9 t -90.74 159.27 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 70.32 111.22 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' THR . . . . . 0.41 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 27.1 m 64.61 147.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 71.34 111.034 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 37.4 t -146.89 -48.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 64.34 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.8 75.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 72.03 111.084 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.241 -0.885 . . . . 73.41 111.123 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.815 0.34 . . . . 75.31 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.35 149.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 116.206 -0.452 . . . . 73.35 111.141 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -108.21 164.35 12.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.787 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 20.8 mm -139.99 131.79 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 120.993 0.425 . . . . 71.33 111.56 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.07 114.3 28.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.86 -0.609 . . . . 71.15 110.046 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -113.53 112.64 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.846 0.355 . . . . 64.13 111.703 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.27 130.47 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.432 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 168.75 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 73.52 111.501 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.31 145.57 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 53.54 111.066 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.5 80.61 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 71.14 111.253 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.43 141.42 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.719 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CE1' HG23 ' B' ' 19' ' ' THR . 55.2 t60 -68.31 -26.02 65.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 72.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -55.72 -34.3 65.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 72.34 110.769 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -64.83 -47.19 78.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.629 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -59.34 -50.71 72.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 74.45 110.673 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 p -60.71 -37.45 81.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.851 -0.613 . . . . 64.41 110.572 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.79 -43.89 82.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.508 . . . . 74.11 110.698 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -68.42 -37.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 75.21 110.709 179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.7 m -68.8 -36.62 78.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 72.25 110.415 179.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -62.82 -37.56 87.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 73.3 110.636 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.58 85.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.016 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 72.8 mt -65.15 -51.15 62.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 75.54 110.821 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.76 76.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.961 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.99 -30.67 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.871 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.14 18.43 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.53 111.178 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 57.17 38.47 28.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.348 . . . . 53.02 111.113 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 t -91.18 128.65 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 74.14 111.016 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -89.06 118.82 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.02 110.982 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mt -96.31 137.2 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 73.12 111.103 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 8.1 mt -89.74 -37.1 14.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.918 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m -163.91 163.55 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.51 111.159 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.87 139.96 9.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.239 -0.437 . . . . 74.05 111.245 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.407 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 1.1 m -163.79 143.24 8.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.13 -0.486 . . . . 71.53 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.9 p -130.94 139.51 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.934 0.397 . . . . 74.4 111.344 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.3 p -136.69 154.04 50.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.965 -0.561 . . . . 73.22 110.857 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.3 p -59.83 121.42 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.896 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 t -77.68 -34.2 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.51 110.836 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.82 -85.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.914 -0.66 . . . . 61.22 112.255 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.29 -77.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 74.35 110.547 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.56 33.4 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.1 0.476 . . . . 75.1 110.256 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.46 147.25 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.607 -0.724 . . . . 74.23 111.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.9 124.61 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.01 111.053 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.3 tt -91.16 123.41 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.284 -0.416 . . . . 75.33 111.074 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -98.09 147.53 24.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.829 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -143.84 122.75 12.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 72.22 110.48 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 14.4 p90 -141.77 140.16 32.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.082 0.467 . . . . 72.43 111.485 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.6 m -105.58 134.54 48.53 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.793 -0.64 . . . . 74.21 110.446 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 129.92 12.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.329 -0.396 . . . . 74.22 111.13 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.79 132.7 34.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 65.5 110.951 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.9 mmt -149.91 165.17 33.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 73.44 110.99 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.56 -38.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.495 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.53 111.58 10.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.584 0.23 . . . . 72.15 110.842 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.19 -27.8 34.73 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.41 2.073 . . . . 73.44 112.366 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -38.52 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.937 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -39.21 45.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 71.35 110.697 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -34.91 68.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.214 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.8 -38.79 30.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.662 -0.78 . . . . 74.1 111.848 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -77.18 -27.76 53.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 71.33 110.882 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.83 -44.13 94.2 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.01 0.434 . . . . 71.53 110.879 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.1 mt -59.6 -50.98 71.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.934 -0.575 . . . . 71.12 110.84 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -60.92 -35.63 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 75.44 110.698 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.09 92.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.73 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 18.1 t -56.4 -32.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.91 -0.586 . . . . 74.43 111.114 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -30.05 69.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 71.53 110.778 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.61 -5.49 50.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.225 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -73.98 104.06 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.881 0.372 . . . . 74.54 110.781 179.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -50.43 120.3 4.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.805 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -22.07 23.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 72.24 112.473 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 47.4 t -87.81 129.97 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.91 0.386 . . . . 72.24 111.091 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -56.49 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 63.24 111.312 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -166.72 169.19 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 73.2 111.21 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.26 139.63 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 73.25 111.469 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.34 122.69 21.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.328 -0.396 . . . . 63.23 111.189 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -64.62 110.45 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 75.24 111.035 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.7 t -92.76 169.79 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.968 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.0 t -93.5 172.16 8.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 75.33 110.837 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -136.7 -66.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 75.34 110.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.05 145.31 53.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.043 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.184 -0.912 . . . . 65.1 111.112 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.811 0.338 . . . . 74.32 111.166 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.6 t -128.08 149.03 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.122 -0.49 . . . . 74.44 111.202 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -106.43 156.22 18.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.069 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.422 HD13 ' CE2' ' B' ' 48' ' ' PHE . 3.1 mp -140.93 131.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.306 -0.407 . . . . 75.25 111.46 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -105.06 114.86 29.31 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.2 -0.454 . . . . 65.12 110.708 179.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.78 112.91 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.366 -0.379 . . . . 62.13 111.346 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.5 130.41 43.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.781 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.71 151.73 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 75.53 111.182 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 47.4 mt -57.13 143.4 38.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.988 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.51 93.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -127.33 179.31 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -101.01 -30.07 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.41 18.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.12 -43.81 82.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.35 -0.386 . . . . 72.4 110.965 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tt -60.75 -54.13 48.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 73.21 110.666 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -60.06 -32.02 70.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 63.11 110.637 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.3 -43.78 80.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 73.14 110.682 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.407 HG11 ' CE1' ' B' ' 46' ' ' PHE . 33.6 t -65.38 -45.1 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.74 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -69.67 -39.17 77.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.801 -0.636 . . . . 74.4 110.099 179.412 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.703 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.45 77.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 70.35 110.653 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.33 -33.33 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.751 -0.658 . . . . 75.11 110.596 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.4 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 75.2 111.125 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.03 -38.6 68.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 74.53 110.871 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.62 18.73 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.12 110.95 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt 54.33 24.65 5.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.331 -0.395 . . . . 75.5 111.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.91 91.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 53.42 110.586 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -63.96 100.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 74.34 111.06 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.413 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -89.46 131.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 75.34 110.172 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.6 mt -74.39 -25.02 59.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 74.53 110.699 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.1 t -137.79 136.09 36.9 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.103 -0.499 . . . . 64.02 110.616 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -141.51 121.5 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 74.31 110.285 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.407 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 86.6 p -160.13 129.8 5.23 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.039 0.447 . . . . 72.05 111.794 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -131.19 119.8 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.941 -0.572 . . . . 74.14 111.065 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 16.4 p -136.5 153.99 50.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.32 111.033 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 19.1 p -77.62 140.77 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.931 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 t -132.57 97.53 4.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.905 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.07 -116.23 5.2 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.773 -0.727 . . . . 71.54 112.523 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -137.77 113.15 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 74.2 110.927 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 63.04 40.96 8.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 65.54 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 t -137.19 112.71 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.148 -0.478 . . . . 74.12 111.094 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.21 115.8 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 61.24 111.143 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.432 HD11 HG23 ' B' ' 43' ' ' ILE . 20.7 mm -99.38 113.16 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.116 -0.493 . . . . 62.24 111.241 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.41 150.08 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.778 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -137.62 129.49 28.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.302 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.431 ' HA ' ' O ' ' B' ' 31' ' ' SER . 88.6 m-85 -139.77 125.45 19.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.002 0.43 . . . . 74.55 111.588 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LEU . 92.8 m -117.59 115.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.893 -0.594 . . . . 74.41 110.013 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CE2' HD13 ' B' ' 4' ' ' ILE . 2.7 p90 -130.97 168.42 17.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.959 0.409 . . . . 75.24 111.754 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.4 112.04 17.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.825 -0.625 . . . . 73.22 110.958 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 10.4 ttp -149.93 149.04 29.83 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.389 . . . . 70.1 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.48 -39.06 3.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 74.52 112.483 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.42 ' HB3' ' CD2' ' B' ' 55' ' ' HIS . 0.5 OUTLIER -60.43 110.4 2.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.565 0.222 . . . . 63.05 110.836 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -73.82 -28.67 11.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.502 2.135 . . . . 74.11 112.472 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.36 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.19 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.42 ' CD2' ' HB3' ' B' ' 52' ' ' ASP . 15.0 m-70 -77.15 -44.38 30.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.525 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.431 ' HA ' ' CD2' ' B' ' 59' ' ' LEU . 4.2 pp -74.7 -33.39 62.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 53.33 109.884 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.3 -34.39 54.85 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.623 -0.799 . . . . 72.44 111.474 178.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.11 -44.51 53.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.838 0.351 . . . . 73.44 110.963 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . 0.431 ' CD2' ' HA ' ' B' ' 56' ' ' LEU . 3.8 pp -66.48 -38.97 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 60.14 110.601 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.4 mt -59.53 -52.08 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 72.13 110.407 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -62.39 -37.4 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 70.35 110.242 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.7 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 62.43 110.659 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.4 t -55.91 -35.2 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 74.32 111.15 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -58.84 -28.61 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -77.92 -5.03 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 73.03 111.488 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.434 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 30.2 t -72.94 104.16 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.857 0.361 . . . . 74.32 110.603 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -49.78 120.11 4.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 70.54 110.867 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.25 18.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.845 -0.693 . . . . 74.01 112.706 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.434 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 55.4 t -80.61 122.67 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.851 0.358 . . . . 75.03 110.862 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -60.63 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.907 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.79 169.13 13.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.833 -0.621 . . . . 71.54 110.972 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -126.59 140.77 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.193 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -135.27 126.74 28.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.41 111.171 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -69.81 109.24 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.894 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.4 ' HB ' ' HB2' ' B' ' 3' ' ' ALA . 1.7 t -97.08 171.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 70.32 110.807 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 37.5 p -116.02 157.81 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 71.34 110.927 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.4 m -57.89 176.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 64.34 110.978 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.62 138.09 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 72.03 111.042 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.246 -0.883 . . . . 73.41 111.044 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.917 0.389 . . . . 75.31 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.8 t -82.25 149.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 73.35 111.174 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -110.69 165.35 11.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.968 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.414 HD13 ' CE2' ' A' ' 48' ' ' PHE . 29.0 mt -142.68 131.97 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.892 0.377 . . . . 71.33 111.391 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.38 106.38 16.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.149 -0.478 . . . . 71.15 110.621 179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.7 t -102.62 112.72 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.355 -0.384 . . . . 64.13 111.391 -179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.59 125.2 34.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 72.24 110.449 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.4 159.56 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 73.52 111.316 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 64.7 mt -50.34 146.45 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 53.54 110.968 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -66.24 76.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 111.162 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -142.23 122.44 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 75.44 110.727 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.429 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 29.1 t60 -58.55 -28.1 65.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 72.33 110.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.29 67.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 72.34 110.697 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 90.4 mt -66.91 -45.65 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 74.31 110.685 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -61.68 -47.29 85.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.986 -0.552 . . . . 74.45 110.576 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -62.17 -40.24 95.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.866 -0.606 . . . . 64.41 110.503 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 74.11 110.557 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.2 t -67.73 -37.27 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 75.21 110.816 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -67.05 -38.88 86.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 72.25 110.441 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -61.32 -40.63 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 73.3 110.634 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.38 85.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 74.43 110.944 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 50.8 mt -65.5 -51.84 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.832 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.989 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.78 -30.55 71.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 72.31 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.79 15.29 25.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.183 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt 58.22 48.49 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 53.02 110.953 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.31 110.31 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.082 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.63 115.39 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 63.02 110.874 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.8 mt -96.16 129.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.12 111.064 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.15 -33.39 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 72.1 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -173.25 171.55 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 72.51 110.939 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.77 147.98 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 74.05 111.184 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -163.65 131.46 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.7 p -130.73 138.39 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.4 111.305 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 p -136.65 153.98 50.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.916 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 40.3 p -78.6 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.961 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -81.14 -28.94 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.973 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.61 -134.57 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.664 -0.779 . . . . 61.22 112.66 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.19 117.36 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 74.35 110.972 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 54.3 34.88 21.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 75.1 111.002 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.1 m -137.43 107.64 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.806 -0.634 . . . . 74.23 110.993 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.92 121.46 45.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.01 111.346 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 16.6 mm -89.83 110.9 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.05 -0.523 . . . . 75.33 110.902 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -98.04 138.43 35.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.125 -179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 117.19 26.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.972 -0.558 . . . . 72.22 110.49 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.18 125.47 52.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.206 -0.452 . . . . 72.43 111.367 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -110.79 118.07 35.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.976 -0.556 . . . . 74.21 110.589 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.414 ' CE2' HD13 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -150.74 169.42 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 74.22 111.118 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.71 160.36 17.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 65.5 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.13 160.64 15.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.231 -0.441 . . . . 73.44 110.969 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.92 -54.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.656 -0.783 . . . . 74.22 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.42 100.34 29.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.572 0.225 . . . . 72.15 110.983 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.78 -32.28 55.19 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.43 2.086 . . . . 73.44 112.369 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -64.49 -34.66 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 72.32 110.969 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -77.51 -42.83 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.668 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.7 tt -72.62 -32.7 66.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.165 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.08 -43.7 32.28 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.709 -0.758 . . . . 74.1 111.876 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 71.33 110.7 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 mt -63.52 -46.95 83.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 71.53 110.828 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -58.03 -49.87 75.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 71.12 110.795 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -39.11 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.638 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.71 95.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 71.12 110.708 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.7 t -57.35 -30.57 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.986 179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -60.84 -28.76 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.839 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -83.18 2.8 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.517 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.97 104.2 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 120.875 0.369 . . . . 74.54 110.793 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.93 120.46 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.499 . . . . 74.1 110.631 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.31 -21.93 23.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 72.24 112.655 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -86.59 123.1 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.24 111.168 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.55 -56.04 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.286 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -165.93 169.17 15.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.989 -0.551 . . . . 73.2 111.092 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.413 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 22.8 t -129.72 138.43 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.139 -0.482 . . . . 73.25 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -135.53 126.54 27.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.26 -0.427 . . . . 63.23 111.142 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.3 ttp180 -64.33 110.56 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 75.24 110.785 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 34.7 t -85.97 158.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 75.21 111.239 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.1 p -151.28 115.04 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 75.33 110.801 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 p -97.23 168.19 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 75.34 110.978 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.51 115.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 51.12 111.143 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 65.1 111.108 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.793 0.33 . . . . 74.32 111.243 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.404 ' CG1' ' CD ' ' B' ' 74' ' ' ARG . 29.1 t -82.15 138.28 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 74.44 111.169 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.42 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -100.73 153.01 19.8 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.95 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -133.31 131.93 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.296 -0.411 . . . . 75.25 111.411 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -106.06 104.88 14.69 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.61 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.55 113.05 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.29 -0.413 . . . . 62.13 111.552 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -95.52 139.23 32.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.093 -0.503 . . . . 75.13 110.8 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.32 163.1 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 75.53 111.305 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 mt -59.4 144.27 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.909 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.7 88.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -138.78 143.3 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 62.53 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 20.3 p-80 -68.21 -29.89 68.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 73.15 111.014 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -80.16 -37.65 32.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 73.14 111.003 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 23.0 mt -57.3 -39.67 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.846 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.3 mt -59.89 -56.36 22.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 73.21 110.339 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.56 -30.04 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 63.11 110.182 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.7 -48.08 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.394 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 t -64.95 -41.35 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.569 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -69.33 -39.79 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 74.4 110.259 179.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -68.97 -37.88 79.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.634 . . . . 75.32 110.738 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.81 77.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -84.68 -30.13 25.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 75.11 110.834 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -36.59 76.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 75.2 111.442 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -57.32 -25.16 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.073 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.82 9.85 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 73.12 111.142 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 55.14 23.73 5.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.768 0.318 . . . . 75.5 111.116 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.18 93.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 53.42 110.696 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -64.07 100.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.432 HD12 ' CD2' ' B' ' 46' ' ' PHE . 5.9 mt -89.35 128.25 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.418 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.472 ' N ' ' O ' ' B' ' 47' ' ' THR . 2.8 mt -74.46 -28.82 61.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 74.53 110.304 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.98 131.4 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.026 -0.534 . . . . 64.02 110.729 179.365 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.41 121.56 17.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.305 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.46 133.71 7.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.974 0.416 . . . . 72.05 111.889 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.2 p -131.21 123.44 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 74.14 110.969 179.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -136.59 153.99 50.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.32 111.061 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -72.6 134.58 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 73.42 110.951 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.57 -47.18 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 74.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.33 -103.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.672 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.05 115.55 29.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 74.2 111.108 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 53.87 36.7 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 65.54 111.205 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.4 107.57 5.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 74.12 111.091 179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.11 127.25 47.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 61.24 111.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 20.8 mm -103.88 122.33 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 62.24 111.425 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.57 148.49 25.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 61.43 110.567 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -134.95 121.75 20.93 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.431 -0.35 . . . . 75.41 110.604 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.432 ' CD2' HD12 ' B' ' 29' ' ' ILE . 74.1 m-85 -129.37 125.26 36.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.021 0.438 . . . . 74.55 111.344 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.472 ' O ' ' N ' ' B' ' 30' ' ' LEU . 68.4 m -115.23 119.83 37.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.855 -0.611 . . . . 74.41 110.047 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -136.11 151.34 49.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.88 0.372 . . . . 75.24 111.572 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -102.64 111.96 24.5 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.907 -0.588 . . . . 73.22 110.871 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 20.8 mtt -149.91 165.85 31.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 70.1 111.041 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.68 -42.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 74.52 112.505 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -55.81 107.22 0.82 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.582 0.23 . . . . 63.05 111.029 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.98 -26.49 74.08 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.584 2.19 . . . . 74.11 112.327 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -33.38 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 73.14 111.034 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -77.45 -44.5 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 74.11 110.721 -179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp -71.28 -32.82 69.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.939 0.4 . . . . 53.33 110.157 179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.93 -40.05 31.58 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.751 -0.737 . . . . 72.44 111.831 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 73.44 110.803 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 3.9 mp -62.71 -47.23 84.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.331 -0.395 . . . . 60.14 110.894 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -46.47 89.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.76 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -61.94 -39.02 90.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 70.35 110.718 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -44.74 88.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 62.43 110.651 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 38.8 t -57.08 -32.01 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 74.32 110.965 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.73 -28.95 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.719 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -82.04 1.18 37.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.259 -0.428 . . . . 73.03 111.526 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.433 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.4 t -81.51 104.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.981 0.42 . . . . 74.32 110.73 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.5 120.69 6.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 70.54 110.809 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.16 19.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.713 . . . . 74.01 112.777 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.433 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 61.9 t -79.11 123.08 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 120.863 0.363 . . . . 75.03 110.764 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.66 -59.61 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 75.41 111.048 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -166.7 169.15 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.942 -0.572 . . . . 71.54 111.133 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.94 135.07 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.956 -0.565 . . . . 72.14 111.13 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.3 125.34 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 71.41 111.355 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.404 ' CD ' ' CG1' ' B' ' 2' ' ' VAL . 8.0 ttp180 -65.77 117.29 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.514 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.1 t -85.82 131.55 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 70.32 111.2 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.27 108.56 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 71.34 110.909 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 24.8 t -108.56 120.36 42.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 64.34 110.858 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.51 109.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 72.03 111.022 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.283 -0.865 . . . . 73.41 111.152 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 pp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.854 0.359 . . . . 75.31 111.232 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.22 146.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 73.35 111.238 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.61 163.44 13.46 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.999 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.9 mt -144.27 132.31 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.934 0.397 . . . . 71.33 111.552 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -107.15 105.68 15.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.048 -0.524 . . . . 71.15 110.536 179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -102.61 112.65 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.258 -0.428 . . . . 64.13 111.291 -179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -89.54 128.54 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.642 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.35 165.0 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.985 0.421 . . . . 73.52 111.443 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 68.0 mt -51.94 144.32 11.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 53.54 111.053 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -63.94 83.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.14 111.098 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -153.51 127.56 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 75.44 110.852 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.448 ' CE1' ' CG2' ' B' ' 19' ' ' THR . 60.9 t60 -60.11 -28.93 68.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 72.33 110.877 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.2 -38.01 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 72.34 110.824 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.39 -41.28 98.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 74.31 110.827 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.55 -47.78 84.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 74.45 110.586 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.6 t -61.47 -41.04 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.867 -0.606 . . . . 64.41 110.546 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.76 -41.53 99.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.723 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -66.74 -39.68 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 75.21 110.826 179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -66.14 -38.62 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 72.25 110.506 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.48 -42.04 99.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 73.3 110.647 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.44 87.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.955 -0.566 . . . . 74.43 110.87 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.8 mt -66.98 -49.81 64.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.809 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.961 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.78 -30.47 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.833 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.38 22.43 14.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.53 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? 58.78 41.56 21.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 53.02 111.016 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.5 t -94.02 128.48 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 74.14 111.136 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.21 112.45 25.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.846 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.47 135.23 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.144 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -85.51 -34.64 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.922 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 t -173.21 162.92 4.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 72.51 111.077 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.13 154.71 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 74.05 111.01 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.2 t -163.61 130.63 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 71.53 110.91 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.6 p -112.88 136.99 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.455 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 p -136.63 154.04 50.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.084 -0.507 . . . . 73.22 110.783 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -58.23 121.75 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 71.24 110.985 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -80.57 -36.94 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 63.51 110.807 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.93 -89.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.853 -0.689 . . . . 61.22 112.295 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.23 -78.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 74.35 110.638 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 33.05 2.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.108 0.48 . . . . 75.1 110.172 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 p -137.46 141.17 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.651 -0.704 . . . . 74.23 111.233 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.63 123.66 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.075 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 6.5 tp -89.99 120.41 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.269 -0.423 . . . . 75.33 111.131 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -98.1 125.26 43.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.884 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.14 148.29 23.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.22 110.595 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -145.32 149.69 35.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.996 0.427 . . . . 72.43 111.187 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.2 m -145.55 122.86 11.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 74.21 110.537 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.73 131.99 14.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.334 -0.394 . . . . 74.22 111.213 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.9 115.84 26.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.118 -0.492 . . . . 65.5 110.836 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.99 165.78 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.923 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.76 -40.64 0.9 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 74.22 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -58.04 109.84 2.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.529 0.205 . . . . 72.15 110.896 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.76 -15.96 18.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.437 2.091 . . . . 73.44 112.721 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -43.81 97.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.379 . . . . 72.32 111.118 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.408 ' ND1' ' N ' ' A' ' 56' ' ' LEU . 13.9 p80 -77.77 -34.12 52.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.732 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' N ' ' ND1' ' A' ' 55' ' ' HIS . 53.4 tp -73.51 -36.05 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 75.0 110.144 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.0 29.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.722 -0.752 . . . . 74.1 111.756 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -80.39 -24.3 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.721 0.296 . . . . 71.33 110.979 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.0 mt -57.31 -44.87 84.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.86 0.362 . . . . 71.53 110.967 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.96 -49.73 76.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.042 -0.527 . . . . 71.12 110.961 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.44 -37.37 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 75.44 110.717 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.28 74.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.754 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -58.05 -29.73 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 74.43 110.768 179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.1 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 71.53 110.514 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -78.37 -3.91 45.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 74.2 111.321 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.96 104.13 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 120.836 0.351 . . . . 74.54 110.827 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.36 121.23 5.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 74.1 110.644 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -23.34 21.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.657 -0.782 . . . . 72.24 112.49 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.0 t -86.11 125.21 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.838 0.351 . . . . 72.24 111.05 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -73.63 -54.72 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.24 111.28 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -166.71 169.21 13.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 73.2 111.065 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.19 137.93 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.315 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -135.46 124.26 23.94 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.229 -0.442 . . . . 63.23 110.984 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.71 110.28 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.699 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 33.9 t -85.91 158.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.261 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.6 p -137.11 -43.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 75.33 111.033 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.15 91.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 75.34 110.957 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.24 -167.53 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 51.12 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.255 -0.879 . . . . 65.1 111.155 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.876 0.37 . . . . 74.32 111.23 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.6 t -82.26 130.43 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.168 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.78 152.31 18.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 72.13 111.172 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.4 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 25.1 mt -133.42 136.48 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 75.25 111.424 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.21 113.02 25.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.817 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -102.63 112.8 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.294 -0.412 . . . . 62.13 111.323 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -91.86 137.42 32.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.824 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.45 145.32 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 75.53 111.161 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 pp -59.44 147.56 36.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.89 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.69 110.88 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.941 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.43 148.82 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.53 110.903 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -88.46 60.19 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.876 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -177.79 -39.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 73.14 110.897 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 81.4 mt -56.76 -38.91 73.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.477 . . . . 72.4 110.905 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -60.54 -51.42 69.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.095 -0.502 . . . . 73.21 110.579 179.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -60.45 -35.94 77.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.768 -0.651 . . . . 63.11 110.405 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -43.63 94.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 73.14 110.568 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 38.7 t -64.03 -46.12 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 75.1 110.614 179.57 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.448 ' CG2' ' CE1' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -67.48 -41.38 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 74.4 110.247 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -36.04 74.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.601 . . . . 75.32 110.727 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 70.35 110.704 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -72.41 -34.3 67.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.804 -0.635 . . . . 75.11 110.561 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.047 -0.524 . . . . 75.2 111.146 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.38 -37.71 62.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.923 0.392 . . . . 74.53 110.939 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -99.3 22.27 10.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.855 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 25.41 6.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 75.5 111.292 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.86 88.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 53.42 110.428 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -63.88 100.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 74.34 111.131 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.443 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 7.5 mt -88.11 138.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.62 . . . . 75.34 110.121 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 47' ' ' THR . 5.6 mt -74.53 -23.18 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 74.53 111.03 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.428 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.4 OUTLIER -150.22 137.86 19.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.88 0.371 . . . . 64.02 110.916 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.34 121.59 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 74.31 110.355 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 73.7 p -157.98 140.12 14.24 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.876 0.37 . . . . 72.05 111.766 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.14 131.86 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.047 -0.524 . . . . 74.14 111.094 179.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -136.55 147.56 47.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.31 -0.404 . . . . 74.32 110.983 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -69.66 137.15 51.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.951 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -76.73 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.925 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.6 -94.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.769 . . . . 71.54 112.466 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -111.18 110.96 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 74.2 110.963 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 60.17 40.94 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.949 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.21 139.16 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.155 -0.475 . . . . 74.12 111.205 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.3 143.86 49.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 61.24 111.125 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.471 HD12 HG21 ' B' ' 43' ' ' ILE . 26.8 mt -130.2 117.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.177 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.14 152.05 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.744 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' SER . 12.7 mtm-85 -140.69 122.05 14.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.279 -0.419 . . . . 75.41 110.355 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.428 ' HA ' ' O ' ' B' ' 31' ' ' SER . 74.8 m-85 -127.7 125.32 39.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.964 0.411 . . . . 74.55 111.577 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.441 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.9 m -111.55 115.02 28.48 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.902 -0.59 . . . . 74.41 109.753 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -139.39 171.93 13.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 75.24 111.472 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.89 165.88 14.95 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.871 -0.604 . . . . 73.22 110.616 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.401 ' CG ' ' CD1' ' B' ' 56' ' ' LEU . 3.0 ttp -108.8 161.06 15.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.007 0.432 . . . . 70.1 111.512 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.31 -61.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.8 -0.636 . . . . 74.52 112.111 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.49 103.06 44.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.482 0.182 . . . . 63.05 110.57 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.57 -27.9 82.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.448 2.099 . . . . 74.11 112.463 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.24 -34.38 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 73.14 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -44.38 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 74.11 110.624 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.401 ' CD1' ' CG ' ' B' ' 50' ' ' MET . 4.1 mt -70.06 -32.34 70.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 53.33 110.059 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.43 -44.35 34.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.715 -0.755 . . . . 72.44 111.721 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -31.36 59.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 73.44 110.752 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.3 -47.57 78.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.268 -0.423 . . . . 60.14 111.011 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -49.21 77.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 72.13 110.791 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -61.98 -39.66 92.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 70.35 110.555 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.18 91.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 62.43 110.701 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 22.3 t -56.69 -31.87 36.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.937 -0.574 . . . . 74.32 111.055 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.36 -29.61 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.826 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -82.46 2.0 34.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.03 111.663 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.409 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.4 t -81.79 104.15 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.849 0.357 . . . . 74.32 110.773 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -54.07 119.63 5.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.037 -0.529 . . . . 70.54 110.989 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.17 19.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 74.01 112.735 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.409 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 45.3 t -81.02 124.3 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.773 0.321 . . . . 75.03 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -62.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.911 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.77 169.07 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.032 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.4 ' CG1' ' CG2' ' B' ' 4' ' ' ILE . 21.7 t -120.95 128.69 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.984 -0.553 . . . . 72.14 111.085 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.3 130.18 34.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.346 -0.388 . . . . 71.41 111.156 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.06 123.76 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 73.22 110.85 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.429 ' CG1' ' N ' ' B' ' 76' ' ' THR . 75.9 t -85.83 158.21 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 70.32 111.183 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' THR . . . . . 0.429 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 2.9 t 43.72 77.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.648 . . . . 71.34 111.499 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 28.9 t -96.45 -30.79 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.892 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.55 144.92 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.03 111.062 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.196 -0.907 . . . . 73.41 111.13 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.926 0.393 . . . . 75.31 111.215 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.29 141.87 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 73.35 111.194 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.21 152.43 19.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.088 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.429 ' CD1' ' CE2' ' A' ' 48' ' ' PHE . 23.5 mt -130.79 132.11 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.421 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -109.37 104.75 13.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.571 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 25.3 t -104.83 112.82 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.266 -0.424 . . . . 64.13 111.311 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -89.98 130.58 36.16 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.108 -0.497 . . . . 72.24 110.663 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.42 165.24 33.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.339 -0.391 . . . . 73.52 111.17 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mt -52.84 145.08 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 53.54 111.117 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -62.57 83.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.132 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -153.5 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.787 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.434 ' CE1' HG23 ' B' ' 19' ' ' THR . 59.7 t60 -60.66 -26.63 67.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 72.33 110.734 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -56.75 -40.7 76.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 72.34 110.74 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.5 mt -65.79 -43.2 89.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 74.31 110.745 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.13 -49.17 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.538 . . . . 74.45 110.578 179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 64.41 110.487 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.64 -41.02 96.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.045 -0.525 . . . . 74.11 110.538 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.7 t -68.12 -37.73 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 75.21 110.778 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -66.19 -38.21 87.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 72.25 110.482 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.14 -40.32 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 73.3 110.636 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.86 92.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 74.43 110.83 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 87.5 mt -65.57 -47.92 74.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 75.54 110.752 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.09 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -31.73 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -101.79 20.83 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.53 111.187 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm 57.92 30.6 19.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 53.02 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.9 t -79.79 96.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 74.14 111.05 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.14 110.22 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.934 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -89.22 129.24 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.2 mt -83.71 -38.13 21.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.887 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.9 m -173.17 170.92 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.096 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' HB1' ' CD1' ' A' ' 46' ' ' PHE . . . -168.06 155.21 8.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 74.05 111.217 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.63 134.83 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.776 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 13.5 p -122.97 139.66 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.0 0.429 . . . . 74.4 111.649 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -136.7 132.97 35.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.831 -0.622 . . . . 73.22 110.742 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.4 108.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.24 111.05 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -59.95 -68.8 0.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 63.51 110.802 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.44 -91.93 1.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.864 -0.684 . . . . 61.22 112.456 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -76.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 74.35 110.802 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.59 33.11 1.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.054 0.454 . . . . 75.1 110.487 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.46 122.29 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.745 -0.662 . . . . 74.23 111.237 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.81 125.59 46.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 74.01 111.263 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.7 mt -89.85 109.53 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 75.33 110.819 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 60.3 p -101.46 123.89 46.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 73.14 111.29 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -99.96 151.04 21.79 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.026 -0.534 . . . . 72.22 110.623 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.433 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 2.4 m-85 -145.76 125.47 13.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.928 0.394 . . . . 72.43 111.177 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -111.8 126.4 55.03 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.044 -0.525 . . . . 74.21 110.681 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 4' ' ' ILE . 1.6 p90 -150.65 138.47 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 74.22 111.116 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -88.8 112.67 23.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.144 -0.48 . . . . 65.5 110.936 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.8 mmt -150.01 164.29 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 73.44 110.979 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.23 17.07 4.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.74 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.7 m-20 -106.39 120.93 46.98 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.608 0.242 . . . . 72.15 110.806 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.29 -24.2 2.09 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.564 2.176 . . . . 73.44 112.767 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -44.24 79.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.32 111.363 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.405 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 5.3 p-80 -77.73 -39.27 44.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.327 -0.397 . . . . 71.35 110.436 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 tt -70.71 -32.73 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 75.0 110.016 179.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -43.25 29.06 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.81 -0.709 . . . . 74.1 111.689 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -71.68 -30.13 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 71.33 110.72 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.65 -43.69 85.13 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.867 0.365 . . . . 71.53 110.894 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.7 mt -57.57 -48.92 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 71.12 110.858 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.76 -41.53 95.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.62 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.08 99.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 71.12 110.8 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 33.2 t -57.17 -30.14 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 74.43 110.901 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -60.34 -30.59 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 71.53 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -78.48 -3.52 43.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 74.2 111.445 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.8 t -77.25 104.13 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.853 0.358 . . . . 74.54 110.747 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -53.26 118.88 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.063 -0.517 . . . . 74.1 110.867 179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -20.74 25.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.644 -0.789 . . . . 72.24 112.533 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 40.5 t -88.36 127.45 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 120.846 0.355 . . . . 72.24 111.173 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.2 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 63.24 111.192 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -166.74 169.07 13.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 73.2 111.184 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -121.88 135.39 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.041 -0.527 . . . . 73.25 111.328 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 128.47 31.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.414 -0.357 . . . . 63.23 111.186 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -69.08 117.39 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.875 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 t -85.91 140.21 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 75.21 111.26 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 169.44 163.58 0.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.685 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -72.97 103.78 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 75.34 110.95 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.34 94.13 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 51.12 110.982 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.309 -0.853 . . . . 65.1 111.064 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.882 0.372 . . . . 74.32 111.146 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 t -128.03 139.4 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.188 -0.46 . . . . 74.44 111.182 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -99.73 154.39 18.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.088 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 11.4 mm -137.53 131.91 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.254 -0.43 . . . . 75.25 111.366 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.36 107.45 18.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.105 -0.498 . . . . 65.12 110.52 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.65 112.93 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.29 -0.413 . . . . 62.13 111.41 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -95.97 136.58 36.22 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.785 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.31 152.2 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 75.53 111.061 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.44 148.17 29.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.928 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.87 98.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 73.03 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -124.27 -169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 62.53 110.94 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -111.68 -29.82 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 73.15 110.993 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -99.6 -25.21 14.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 73.14 111.251 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 9.6 mt -54.55 -39.46 67.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.433 -0.349 . . . . 72.4 111.004 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 24.0 mt -59.27 -55.2 37.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.321 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.19 -31.19 68.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.74 -0.663 . . . . 63.11 110.249 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.36 -46.47 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 73.14 110.272 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 25.4 t -64.58 -42.83 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 75.1 110.526 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.434 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.78 -40.98 79.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.601 . . . . 74.4 110.197 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -69.48 -36.54 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 75.32 110.759 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.29 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 70.35 110.71 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 40.7 mt -72.41 -30.99 65.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.788 -0.642 . . . . 75.11 110.66 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.48 57.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 75.2 111.069 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.18 -36.93 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 74.53 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.14 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 73.12 110.982 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 25.35 8.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.335 -0.393 . . . . 75.5 111.178 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -59.25 91.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.331 -0.395 . . . . 53.42 110.542 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -63.83 100.33 0.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.971 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.423 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 5.0 mt -88.27 127.98 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 75.34 110.234 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' B' ' 47' ' ' THR . 68.5 mt -74.34 -22.24 59.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 74.53 110.828 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.402 ' CB ' ' HB ' ' B' ' 47' ' ' THR . 0.3 OUTLIER -140.56 134.19 30.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.64 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.68 121.52 16.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.435 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -156.85 128.2 6.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.836 0.351 . . . . 72.05 111.814 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -131.11 121.58 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.087 -0.506 . . . . 74.14 111.048 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 81.0 p -136.63 154.02 50.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.283 -0.417 . . . . 74.32 111.164 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -80.18 129.9 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.838 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.16 -26.52 39.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.144 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.65 -114.12 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.705 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.01 117.59 35.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 74.2 111.163 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 52.75 36.25 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 65.54 111.237 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 9.1 p -137.59 107.55 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 74.12 111.059 179.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -104.14 145.72 29.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 61.24 111.152 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.414 HG21 HD12 ' B' ' 43' ' ' ILE . 29.0 mt -130.11 114.23 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.216 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.78 146.98 25.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.738 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -133.19 120.34 21.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.296 -0.411 . . . . 75.41 110.296 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -129.52 125.36 36.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.959 0.409 . . . . 74.55 111.665 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.425 ' O ' ' N ' ' B' ' 30' ' ' LEU . 80.1 m -116.3 115.1 25.31 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.816 -0.629 . . . . 74.41 109.694 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -136.2 171.25 14.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.104 0.478 . . . . 75.24 111.624 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -88.31 125.53 34.72 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.651 -0.704 . . . . 73.22 110.546 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttp -108.97 157.26 18.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.982 0.42 . . . . 70.1 111.449 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.05 -45.72 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.084 -0.579 . . . . 74.52 112.234 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.43 142.02 24.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.623 0.249 . . . . 63.05 110.71 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -77.6 -26.16 7.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.613 2.209 . . . . 74.11 112.618 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.32 -34.56 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.14 111.318 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -77.41 -44.29 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.839 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 6.3 tp -73.6 -31.73 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 53.33 110.241 179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.22 -42.34 28.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.732 . . . . 72.44 111.9 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -30.67 57.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.834 0.349 . . . . 73.44 110.867 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 11.3 mt -62.85 -47.9 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.423 . . . . 60.14 110.962 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.45 -45.33 94.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 72.13 110.718 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.59 -38.27 89.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 70.35 110.785 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.68 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 62.43 110.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 17.4 t -57.67 -31.96 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 74.32 110.927 179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -61.16 -28.33 69.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.693 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -81.69 1.0 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.467 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.2 t -79.01 104.17 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 120.85 0.357 . . . . 74.32 110.671 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -52.53 120.11 5.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 70.54 110.967 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.06 19.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.846 -0.692 . . . . 74.01 112.709 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.413 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 48.5 t -81.32 124.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.776 0.322 . . . . 75.03 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -60.15 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.962 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.78 169.1 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.863 -0.608 . . . . 71.54 110.943 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.8 t -129.31 136.06 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.133 -0.485 . . . . 72.14 111.219 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.3 133.14 38.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.275 -0.421 . . . . 71.41 111.168 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -71.94 112.75 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.4 t -85.85 159.03 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.221 -0.445 . . . . 70.32 111.235 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 8.8 p -160.37 138.14 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 71.34 110.895 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.62 -35.33 13.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 64.34 110.874 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.7 84.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 72.03 111.119 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.221 -0.895 . . . . 73.41 111.113 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.821 0.343 . . . . 75.31 111.207 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.6 t -82.25 145.93 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 73.35 111.156 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.42 162.57 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.25 -0.432 . . . . 74.21 110.989 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.403 HD12 ' CE2' ' A' ' 48' ' ' PHE . 26.6 mt -138.46 132.08 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.33 -0.395 . . . . 71.33 111.377 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -106.81 104.73 14.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.979 -0.555 . . . . 71.15 110.539 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.43 112.75 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.257 -0.429 . . . . 64.13 111.299 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -90.59 129.18 36.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.655 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.35 166.03 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.381 . . . . 73.52 111.321 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.0 mt -51.16 143.33 11.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.54 111.095 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.77 82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 71.14 111.122 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.61 121.84 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.794 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.452 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 44.6 t60 -60.23 -19.69 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 72.33 110.852 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.69 81.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.904 0.383 . . . . 72.34 110.565 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 32.2 mt -65.96 -61.05 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 74.31 110.648 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -36.49 46.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 74.45 110.739 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 p -65.83 -50.16 65.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 64.41 110.379 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.0 -38.72 83.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 74.11 110.611 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.6 t -67.29 -39.51 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 75.21 110.775 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 72.4 m -64.62 -41.13 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 72.25 110.461 179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -60.24 -42.38 95.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.89 -0.595 . . . . 73.3 110.663 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.84 91.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 74.43 110.874 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 77.6 mt -64.98 -52.28 57.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.731 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.09 73.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.968 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.36 -29.8 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.867 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -101.7 20.55 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 72.53 111.085 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt 60.38 40.43 17.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 53.02 111.006 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 24.3 t -92.45 93.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.102 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -65.11 113.57 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.02 110.929 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -92.91 125.13 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 55.7 mt -75.64 -37.86 59.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 72.1 110.902 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 171.54 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 72.51 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.84 155.72 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 74.05 111.148 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -163.58 128.91 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 71.53 110.744 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 13.7 p -115.87 141.41 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.977 0.418 . . . . 74.4 111.652 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -136.69 149.0 47.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.951 -0.568 . . . . 73.22 110.715 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.4 m -69.61 109.5 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.042 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.958 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 -86.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 61.22 112.376 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.77 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 74.35 110.746 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -96.98 32.62 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 75.1 110.357 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.2 m -137.54 130.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.65 -0.704 . . . . 74.23 111.186 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -128.68 123.63 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.01 111.228 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.6 mt -89.77 109.74 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 75.33 110.846 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 1.1 t -98.06 123.86 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 73.14 111.27 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' CD2' ' A' ' 46' ' ' PHE . 2.8 mpt_? -99.8 148.14 24.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.085 -0.507 . . . . 72.22 110.635 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 21.5 m-85 -146.88 125.54 12.55 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.957 0.408 . . . . 72.43 111.322 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -114.1 121.11 42.79 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.957 -0.565 . . . . 74.21 110.551 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.406 ' CZ ' ' CD2' ' A' ' 56' ' ' LEU . 0.5 OUTLIER -150.87 140.74 21.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.904 0.383 . . . . 74.22 111.272 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.82 125.39 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 65.5 110.843 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.97 165.84 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.44 111.056 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.92 -43.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.83 -0.7 . . . . 74.22 112.429 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.46 121.07 45.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.54 0.209 . . . . 72.15 110.833 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.52 -31.12 9.2 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.411 2.074 . . . . 73.44 112.39 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -64.32 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.917 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -77.56 -44.27 29.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.66 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.406 ' CD2' ' CZ ' ' A' ' 48' ' ' PHE . 6.9 mt -69.96 -33.87 72.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 75.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.07 -40.45 34.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.685 -0.769 . . . . 74.1 111.759 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.69 -31.03 64.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 71.33 110.859 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.3 mp -62.24 -46.77 87.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.961 0.41 . . . . 71.53 110.913 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -49.28 77.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 71.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -60.96 -39.19 88.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.743 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 71.12 110.853 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.1 t -57.49 -29.94 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.017 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -61.34 -29.12 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 71.53 110.867 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -81.87 0.83 37.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.414 . . . . 74.2 111.541 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.406 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 21.7 t -79.01 104.21 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 120.901 0.381 . . . . 74.54 110.789 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.28 120.46 6.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 74.1 110.565 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -21.19 24.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 72.24 112.583 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.406 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 47.9 t -87.18 128.14 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 120.778 0.323 . . . . 72.24 111.073 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -77.68 -54.4 6.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 63.24 111.281 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -166.68 169.15 13.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 73.2 111.093 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.2 t -125.07 138.61 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.465 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -135.52 126.39 27.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.149 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 120.95 14.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.9 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.407 HG13 ' CG2' ' A' ' 76' ' ' THR . 57.8 t -101.21 161.18 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.302 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.407 ' CG2' HG13 ' A' ' 75' ' ' VAL . 18.7 p 56.96 -170.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 75.33 111.095 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -170.94 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 75.34 110.844 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.37 172.02 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 51.12 111.106 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.205 -0.903 . . . . 65.1 111.103 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.842 0.353 . . . . 74.32 111.195 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 22.2 t -128.08 139.52 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.143 -0.481 . . . . 74.44 111.205 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -102.32 163.39 12.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.056 -0.52 . . . . 72.13 110.997 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 28.8 mt -140.58 131.95 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.29 -0.413 . . . . 75.25 111.546 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -108.52 106.22 16.21 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.005 -0.543 . . . . 65.12 110.585 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.5 t -102.45 113.87 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.309 -0.405 . . . . 62.13 111.552 -179.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -101.8 124.53 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 75.13 110.604 179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -145.34 166.19 26.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.53 111.297 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 76.0 mt -59.13 138.24 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.915 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -60.73 96.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 73.03 110.927 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.59 167.57 19.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 62.53 110.799 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -86.59 -64.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.926 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -26.91 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 11.4 tp -54.85 -40.16 69.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.276 -0.42 . . . . 72.4 110.935 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 1.7 tt -59.03 -53.91 53.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.529 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -58.69 -34.2 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 63.11 110.378 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.2 -45.83 89.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 73.14 110.387 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.421 HG12 ' CZ ' ' B' ' 46' ' ' PHE . 23.7 t -63.37 -44.52 99.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 75.1 110.567 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.445 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.75 -41.09 88.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.635 . . . . 74.4 110.321 179.485 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -68.49 -37.5 80.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 75.32 110.786 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.56 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 70.35 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 78.8 mt -71.39 -32.5 68.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.821 -0.627 . . . . 75.11 110.641 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.13 -25.85 58.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.043 -0.526 . . . . 75.2 111.154 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -37.42 59.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.945 0.402 . . . . 74.53 110.94 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.34 19.62 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 73.12 110.946 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.07 27.13 7.18 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.29 -0.414 . . . . 75.5 111.19 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.45 92.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 53.42 110.549 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -63.88 100.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.856 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.452 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 6.6 mt -87.73 129.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 75.34 110.549 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' B' ' 47' ' ' THR . 78.5 mt -74.58 -31.84 62.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 74.53 109.908 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -132.97 131.18 40.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.801 -0.636 . . . . 64.02 110.381 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.73 122.0 17.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.559 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.9 p -159.65 135.48 8.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.933 0.397 . . . . 72.05 111.65 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.2 p -131.13 122.8 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.067 -0.515 . . . . 74.14 111.087 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 11.3 t -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.32 111.0 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 21.0 p -61.65 134.52 56.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.93 -35.45 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.896 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.31 -80.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.834 -0.698 . . . . 71.54 112.334 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -135.51 -71.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 74.2 110.682 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -98.67 34.13 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.035 0.445 . . . . 65.54 110.369 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.49 138.98 44.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.681 . . . . 74.12 111.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.31 121.82 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 61.24 111.03 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -105.23 131.43 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.285 -0.416 . . . . 62.24 111.238 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.84 154.78 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 61.43 110.658 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.03 117.55 14.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.313 -0.403 . . . . 75.41 110.461 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.421 ' CZ ' HG12 ' B' ' 18' ' ' VAL . 56.8 m-85 -124.05 125.38 44.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.26 -0.427 . . . . 74.55 111.507 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.484 ' O ' ' N ' ' B' ' 30' ' ' LEU . 39.0 m -113.17 115.3 28.03 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.909 -0.587 . . . . 74.41 110.046 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -132.96 148.99 52.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.944 0.402 . . . . 75.24 111.519 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -95.02 111.98 23.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.788 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 165.73 31.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 70.1 111.089 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.99 15.19 3.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 74.52 112.702 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.65 99.14 23.39 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.578 0.228 . . . . 63.05 110.867 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.16 -25.83 31.1 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.463 2.109 . . . . 74.11 112.43 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' B' ' 58' ' ' HIS . 0.6 OUTLIER -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 73.14 111.093 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 65.6 m80 -77.53 -44.2 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.685 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.3 tt -72.18 -32.27 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.197 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.51 -41.65 29.37 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.733 -0.746 . . . . 72.44 111.851 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' B' ' 54' ' ' LYS . 12.8 m-70 -74.95 -30.77 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.44 110.75 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 4.2 mt -64.54 -49.22 72.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 60.14 110.8 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -49.82 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.931 -0.577 . . . . 72.13 110.727 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -61.94 -33.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 70.35 110.585 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.28 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.43 110.738 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 16.7 t -56.05 -32.16 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.938 -0.573 . . . . 74.32 111.125 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -60.1 -31.34 69.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.735 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -77.06 -7.94 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.03 111.421 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.421 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 19.9 t -76.65 104.17 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 120.851 0.358 . . . . 74.32 110.763 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.97 120.76 5.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.539 . . . . 70.54 110.849 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -24.05 19.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 74.01 112.714 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.421 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 70.3 t -80.4 121.95 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.859 0.361 . . . . 75.03 110.959 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.86 -59.04 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 75.41 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.88 169.06 13.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 71.54 111.186 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.8 t -131.5 140.0 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.887 -0.597 . . . . 72.14 111.092 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -135.25 122.98 22.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.296 -0.411 . . . . 71.41 111.199 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -65.38 110.12 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.803 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.95 159.0 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.199 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -165.39 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 71.34 110.949 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.93 120.28 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.34 110.921 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.84 103.05 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.03 111.096 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.234 -0.888 . . . . 73.41 111.103 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.834 0.35 . . . . 75.31 111.083 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -82.35 139.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 73.35 111.118 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -104.63 157.45 17.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.992 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mm -136.89 131.97 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.27 -0.423 . . . . 71.33 111.399 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.52 114.42 28.52 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.017 -0.538 . . . . 71.15 110.354 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.39 112.87 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.833 0.349 . . . . 64.13 111.705 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -95.99 107.92 20.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.526 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -139.17 169.04 18.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.844 0.354 . . . . 73.52 111.467 -179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 35.2 tp -54.83 153.7 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 53.54 111.045 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -66.57 79.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 71.14 111.246 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.57 133.92 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 75.44 110.639 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' B' ' 22' ' ' LEU . 0.5 OUTLIER -68.02 -13.33 62.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.306 . . . . 72.33 111.187 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -29.36 65.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 72.34 110.831 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -65.51 -60.27 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 74.31 110.804 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.0 -37.26 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.605 . . . . 74.45 110.698 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.4 ' CB ' ' CG2' ' B' ' 19' ' ' THR . 6.6 p -67.13 -41.0 86.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.529 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 74.11 110.563 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 t -67.64 -38.24 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 75.21 110.679 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.7 m -65.81 -37.39 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.547 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -60.5 -40.49 91.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.982 -0.554 . . . . 73.3 110.679 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.4 88.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 12.8 mt -65.04 -48.71 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 75.54 110.826 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.09 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 73.12 111.105 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.31 -30.89 68.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.31 110.935 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -102.88 21.68 15.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.164 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.94 39.14 29.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.039 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.41 107.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 74.14 111.111 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.29 126.81 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 63.02 110.966 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.31 131.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.177 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -75.14 -36.66 61.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.873 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.12 164.87 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.51 111.039 179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -159.51 146.84 16.95 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.267 -0.424 . . . . 74.05 111.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -163.59 138.63 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 71.53 110.852 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 p -130.94 143.12 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.423 -0.353 . . . . 74.4 111.421 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -136.76 154.03 50.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.22 110.877 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 p -75.89 114.06 14.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 71.24 111.092 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.09 -38.45 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 63.51 111.253 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.33 74.59 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.493 -0.86 . . . . 61.22 112.928 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 63.17 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 74.35 111.593 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -92.56 31.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 75.1 111.232 -179.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 t -137.82 139.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 74.23 110.957 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.71 115.76 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 74.01 111.418 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mt -89.93 109.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 75.33 110.707 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.81 141.67 30.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.839 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -143.84 121.96 12.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.099 -0.501 . . . . 72.22 110.459 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 18.7 p90 -143.47 139.13 29.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.983 0.421 . . . . 72.43 111.629 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.0 t -106.46 137.86 43.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.864 -0.607 . . . . 74.21 110.595 179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.93 169.67 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 74.22 111.061 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.73 165.7 14.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 65.5 110.87 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.95 165.76 31.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.976 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.86 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.558 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -100.86 147.15 33.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 72.15 110.907 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.49 -27.78 10.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.534 2.156 . . . . 73.44 112.434 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -62.17 -36.58 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -43.23 33.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 71.35 110.613 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.32 -33.99 73.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 75.0 110.093 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.05 -40.96 33.49 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.705 -0.76 . . . . 74.1 111.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -74.07 -32.57 63.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 71.33 110.681 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 39.9 tp -63.33 -47.57 81.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.822 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -47.15 86.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 71.12 110.768 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -62.35 -38.04 88.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.44 110.637 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.28 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.783 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 16.7 t -57.51 -31.77 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.042 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -62.08 -27.7 69.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.53 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -80.57 -0.99 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 74.2 111.477 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.4 t -75.81 104.16 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.926 0.393 . . . . 74.54 110.695 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -51.63 119.98 4.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 74.1 110.832 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -23.3 21.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.587 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 44.2 t -85.52 117.53 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.861 0.362 . . . . 72.24 111.098 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.05 -50.83 37.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.031 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.73 168.88 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 73.2 111.219 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 23.5 t -131.53 140.21 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 73.25 111.035 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -135.41 122.25 21.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.362 -0.381 . . . . 63.23 111.217 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.51 111.21 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.863 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 16.9 t -85.79 159.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 75.21 111.167 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -161.59 102.65 1.2 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.897 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.57 103.84 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 75.34 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.19 75.73 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 51.12 111.057 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 65.1 111.108 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.953 0.406 . . . . 74.32 111.212 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.18 149.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 74.44 111.279 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.419 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -126.59 157.53 38.62 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.937 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 9.3 mt -132.87 132.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 75.25 111.431 -179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.72 104.73 13.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.168 -0.469 . . . . 65.12 110.501 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.83 112.91 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 120.868 0.365 . . . . 62.13 111.648 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -93.43 134.16 35.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.546 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.27 160.25 35.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 75.53 111.39 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.89 153.73 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 73.32 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -70.11 65.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.072 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -112.98 129.62 56.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 62.53 110.944 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -28.31 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 73.15 111.028 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -29.5 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.938 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 1.8 mp -59.16 -51.53 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 72.4 110.943 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 50.5 tp -56.44 -49.51 74.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 73.21 110.565 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -61.66 -35.08 76.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.608 . . . . 63.11 110.217 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -62.3 -44.7 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.298 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 41.9 t -63.8 -51.87 64.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 75.1 110.592 179.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.4 ' CG2' ' CB ' ' A' ' 16' ' ' SER . 0.2 OUTLIER -62.35 -32.58 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 74.4 110.142 179.381 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -45.89 74.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.056 -0.52 . . . . 75.32 110.551 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.49 -43.99 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 70.35 110.453 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 17.3 mt -77.14 -27.59 53.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 75.11 110.329 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.14 75.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 75.2 110.941 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.66 -30.71 22.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.809 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . 0.423 ' HG3' ' CE1' ' B' ' 55' ' ' HIS . 5.7 mm-40 -111.07 -13.35 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.972 -0.558 . . . . 73.12 110.985 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt 67.08 38.79 3.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.877 0.37 . . . . 75.5 110.998 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.438 ' CG1' ' CD1' ' B' ' 48' ' ' PHE . 32.0 t -60.92 107.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 53.42 110.493 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.87 102.04 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.104 0.478 . . . . 74.34 110.829 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 7.2 mt -85.48 133.21 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.662 -0.699 . . . . 75.34 110.308 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' B' ' 47' ' ' THR . 28.3 mt -74.44 -25.2 59.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 74.53 110.686 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.0 OUTLIER -150.91 131.4 13.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.633 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.21 121.57 19.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.51 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -157.41 142.71 17.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.926 0.393 . . . . 72.05 111.648 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.405 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.0 p -131.16 136.91 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.084 -0.507 . . . . 74.14 111.252 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.3 p -136.62 153.75 50.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.119 -0.492 . . . . 74.32 110.932 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.9 p -78.84 123.65 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.42 110.941 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.58 -67.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.976 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.66 -99.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 71.54 112.542 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -105.84 110.32 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 74.2 110.928 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.77 39.53 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.18 136.66 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.172 -0.467 . . . . 74.12 111.17 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.13 144.04 50.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 61.24 111.15 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.8 mt -130.06 113.85 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.258 -0.428 . . . . 62.24 111.275 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 5.1 p -97.96 147.67 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.43 110.714 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -133.78 121.07 21.33 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.327 -0.397 . . . . 75.41 110.345 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.43 ' HA ' ' O ' ' B' ' 31' ' ' SER . 63.2 m-85 -125.06 125.25 43.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.986 0.422 . . . . 74.55 111.53 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 55.9 m -112.47 115.21 28.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.888 -0.596 . . . . 74.41 109.7 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.438 ' CD1' ' CG1' ' B' ' 27' ' ' VAL . 0.7 OUTLIER -147.53 162.09 39.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.096 0.474 . . . . 75.24 111.784 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 152.05 22.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.708 -0.678 . . . . 73.22 110.526 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.413 ' HG2' ' CE1' ' B' ' 48' ' ' PHE . 0.4 OUTLIER -149.96 148.38 29.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.929 0.395 . . . . 70.1 111.26 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.33 -36.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.806 -0.711 . . . . 74.52 112.346 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.39 128.53 28.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.536 0.208 . . . . 63.05 110.823 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.93 -12.54 21.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.509 2.14 . . . . 74.11 112.632 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.01 -43.32 79.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 73.14 111.112 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.423 ' CE1' ' HG3' ' B' ' 25' ' ' GLU . 3.1 t-160 -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 tt -71.72 -32.43 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 53.33 110.281 179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.55 -39.94 28.72 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.674 -0.774 . . . . 72.44 111.928 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -78.26 -29.36 48.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.729 0.299 . . . . 73.44 110.878 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 64.0 tp -64.48 -46.29 83.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.903 0.382 . . . . 60.14 110.916 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mp -58.98 -51.25 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.962 -0.563 . . . . 72.13 110.727 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.39 -37.08 82.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 70.35 110.593 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.09 96.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 62.43 110.683 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.22 -32.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 74.32 111.099 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -59.67 -30.43 68.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.813 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -75.03 -7.15 52.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 73.03 111.368 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.425 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 27.4 t -74.98 104.17 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 120.832 0.348 . . . . 74.32 110.632 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -51.19 120.09 4.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.057 -0.52 . . . . 70.54 110.89 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.16 19.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 74.01 112.777 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.425 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 60.7 t -80.85 121.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 75.03 111.01 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -68.65 -58.53 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.066 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.86 169.07 13.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 71.54 111.132 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.4 t -127.29 131.73 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.056 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.41 124.22 23.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.329 -0.396 . . . . 71.41 111.042 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.56 121.8 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.824 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.87 148.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 70.32 111.176 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 3.6 p -162.55 -74.1 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 71.34 110.921 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 57.8 m -129.7 -46.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.17 81.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.03 111.122 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.883 . . . . 73.41 111.106 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 7.5 tt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.881 0.372 . . . . 75.31 111.181 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 t -82.3 138.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 73.35 111.248 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.6 160.93 14.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.961 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.416 HD12 ' CE2' ' A' ' 48' ' ' PHE . 20.8 mt -135.86 132.03 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.332 -0.395 . . . . 71.33 111.494 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -106.35 104.81 14.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.545 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -105.01 112.74 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.376 -0.374 . . . . 64.13 111.548 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.38 126.45 38.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.447 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 69' ' ' VAL . . . -156.5 167.61 29.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.389 . . . . 73.52 111.602 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -55.17 153.72 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 53.54 111.061 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.37 81.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 71.14 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -149.49 125.89 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 75.44 110.799 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.492 ' CE1' ' HA ' ' B' ' 26' ' ' LYS . 0.3 OUTLIER -58.84 -27.67 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.404 -0.362 . . . . 72.33 111.073 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.257 -0.429 . . . . 72.34 111.09 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 68.0 mt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 74.31 110.827 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.92 -41.62 99.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.542 . . . . 74.45 110.607 179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -65.7 -38.35 88.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.887 -0.597 . . . . 64.41 110.509 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -42.73 88.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.642 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.2 t -66.22 -41.28 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 75.21 110.89 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 m -67.13 -37.31 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 72.25 110.619 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -65.39 -38.38 89.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 73.3 110.791 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.6 98.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 74.43 110.966 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.5 mt -67.64 -46.78 71.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.882 -0.599 . . . . 75.54 110.867 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.74 -28.7 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.119 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.49 -31.12 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 72.31 110.949 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -106.22 25.69 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 72.53 110.99 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.55 30.57 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 53.02 111.102 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 26.3 t -79.22 96.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 74.14 111.09 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 117.1 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 63.02 110.913 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.83 130.77 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.025 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -40.55 59.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.743 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 p -173.2 164.94 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.507 . . . . 72.51 110.924 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.409 ' HB1' ' CD1' ' A' ' 46' ' ' PHE . . . -163.37 150.84 12.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 74.05 111.271 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 24.4 p -163.76 138.62 6.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 71.53 110.824 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.401 HG22 ' N ' ' A' ' 35' ' ' THR . 11.7 p -130.95 141.14 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.392 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.401 ' N ' HG22 ' A' ' 34' ' ' VAL . 0.8 OUTLIER -130.5 145.41 51.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.838 179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 8.9 t -66.52 106.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.24 111.037 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.17 -37.69 75.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 63.51 110.949 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -178.69 -113.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.644 -0.789 . . . . 61.22 112.6 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 9.6 p-10 -91.75 113.26 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 74.35 111.058 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 53.07 35.15 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 75.1 111.05 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -137.53 128.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 74.23 111.046 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.66 119.74 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.01 111.202 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.8 mt -89.72 113.12 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 75.33 110.905 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.1 t -97.99 137.61 36.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 73.14 110.96 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -123.41 120.38 32.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 72.22 110.492 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.409 ' CD1' ' HB1' ' A' ' 32' ' ' ALA . 51.5 m-85 -108.95 156.69 19.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.943 0.401 . . . . 72.43 111.366 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 35.2 m -140.47 116.64 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 74.21 110.463 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 4' ' ' ILE . 1.3 p90 -150.73 132.44 14.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.064 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.85 116.0 26.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.179 -0.464 . . . . 65.5 110.918 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.2 mmt -149.97 165.85 31.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.985 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.75 -47.46 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.491 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 1.3 m-20 -57.78 110.19 2.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.611 0.244 . . . . 72.15 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.402 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 82.7 Cg_endo -77.81 -0.86 11.05 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.421 2.081 . . . . 73.44 112.896 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -76.49 -41.43 47.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 72.32 111.451 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 30.8 p80 -77.32 -44.39 29.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 71.35 110.932 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.408 ' N ' ' ND1' ' A' ' 55' ' ' HIS . 3.5 pp -73.77 -28.65 61.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.984 0.421 . . . . 75.0 110.089 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.64 -46.61 18.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.766 -0.73 . . . . 74.1 111.798 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.2 -30.9 62.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.791 0.329 . . . . 71.33 110.658 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.1 mt -59.34 -39.24 82.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.758 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.74 -51.3 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 71.12 110.697 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -61.42 -39.75 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.442 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.53 87.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 71.12 110.653 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 39.8 t -56.06 -30.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 74.43 110.835 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -58.38 -32.96 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 71.53 110.726 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -9.37 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 74.2 111.276 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -74.18 104.1 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.85 0.357 . . . . 74.54 110.714 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.61 120.19 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 74.1 110.819 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -23.35 21.2 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.783 -0.722 . . . . 72.24 112.485 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 52.0 t -85.54 119.01 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.847 0.356 . . . . 72.24 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -72.01 -53.23 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 63.24 111.142 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -166.73 169.17 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.134 -0.485 . . . . 73.2 111.245 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.55 136.33 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.092 -0.504 . . . . 73.25 111.243 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -135.39 124.31 24.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.316 -0.402 . . . . 63.23 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.9 mpp_? -65.39 114.41 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.823 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 t -85.85 145.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.21 111.31 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.7 p -151.61 111.24 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.861 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -75.97 164.53 26.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 75.34 110.967 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.61 141.75 43.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 51.12 111.098 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.16 -0.924 . . . . 65.1 111.137 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.856 0.36 . . . . 74.32 111.182 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 36.0 t -82.29 138.26 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.193 -0.458 . . . . 74.44 111.177 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -102.43 156.99 17.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.219 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.3 mm -137.48 132.18 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.213 -0.449 . . . . 75.25 111.274 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.63 108.87 20.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.588 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -102.56 112.88 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.273 -0.421 . . . . 62.13 111.355 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -96.5 137.76 35.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.698 179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.49 163.01 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 75.53 111.205 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.2 tp -59.27 150.88 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.836 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.34 104.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 73.03 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.95 155.93 40.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 62.53 110.848 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.421 ' CE1' ' HD3' ' B' ' 13' ' ' ARG . 16.9 p80 -87.81 -27.88 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 73.15 111.038 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.421 ' HD3' ' CE1' ' B' ' 12' ' ' HIS . 0.0 OUTLIER -86.24 -28.63 23.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 73.14 111.068 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 14.2 mt -55.22 -38.29 68.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 72.4 110.95 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 8.4 mp -59.09 -52.25 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.319 179.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t -60.07 -35.14 74.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 63.11 110.175 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.1 -45.15 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 73.14 110.436 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 43.6 t -63.19 -50.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 75.1 110.508 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -32.03 71.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 74.4 110.177 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -65.38 -47.88 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.935 -0.575 . . . . 75.32 110.533 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.46 69.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.595 . . . . 70.35 110.476 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 52.1 mt -75.43 -30.32 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.741 -0.663 . . . . 75.11 110.318 179.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.19 72.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.014 -0.539 . . . . 75.2 111.044 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.3 -35.81 29.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.073 0.464 . . . . 74.53 110.577 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.26 -18.4 14.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 73.12 110.592 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.492 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 69.63 41.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 75.5 111.071 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.457 ' N ' ' CE1' ' A' ' 12' ' ' HIS . 35.5 t -67.2 109.2 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 53.42 109.997 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -63.83 100.43 0.3 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 74.34 111.147 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.419 HG13 ' HB3' ' A' ' 12' ' ' HIS . 6.8 mt -87.44 128.66 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.701 -0.681 . . . . 75.34 109.906 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 3.3 mt -74.45 -22.25 59.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.506 -0.315 . . . . 74.53 110.967 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.433 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -146.08 133.13 20.31 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.343 -0.39 . . . . 64.02 110.92 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -133.59 121.57 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 74.31 110.094 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 54.5 p -155.91 129.49 8.38 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.661 -0.416 . . . . 72.05 111.942 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 7.1 p -131.18 128.94 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.023 -0.535 . . . . 74.14 111.057 179.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.0 p -136.68 154.01 50.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.32 110.941 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.6 p -76.78 117.96 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.971 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.9 t -59.51 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.036 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.47 -113.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 71.54 112.704 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -86.38 111.6 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 74.2 111.062 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 50.53 36.74 14.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 65.54 111.231 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -137.44 124.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 74.12 111.179 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.99 144.21 49.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 61.24 110.977 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 16.4 mt -130.11 135.57 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.325 -0.398 . . . . 62.24 111.515 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.71 154.18 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 61.43 110.338 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' SER . 9.0 mmm-85 -138.84 117.29 12.03 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.804 0.335 . . . . 75.41 110.568 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' B' ' 31' ' ' SER . 62.4 m-85 -124.93 125.34 43.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.993 0.425 . . . . 74.55 111.375 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 96.8 m -113.86 115.14 27.25 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.865 -0.607 . . . . 74.41 109.878 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -133.93 171.47 14.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.03 0.443 . . . . 75.24 111.472 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 161.2 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 73.22 110.564 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.0 ttt -109.0 155.11 21.27 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.965 0.412 . . . . 70.1 111.367 -179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.92 -65.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.938 -0.649 . . . . 74.52 112.234 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.42 142.23 24.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.232 . . . . 63.05 110.789 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.28 -32.1 5.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.531 2.154 . . . . 74.11 112.383 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . 0.415 ' HG2' ' CD2' ' B' ' 58' ' ' HIS . 0.4 OUTLIER -65.38 -29.33 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 73.14 111.073 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -77.42 -44.25 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.772 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 tt -73.16 -31.3 64.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.405 . . . . 53.33 110.222 179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.03 -41.89 26.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.781 -0.723 . . . . 72.44 111.946 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . 0.415 ' CD2' ' HG2' ' B' ' 54' ' ' LYS . 9.4 m-70 -77.49 -28.78 52.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.748 0.309 . . . . 73.44 110.898 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 11.9 mt -63.95 -50.34 69.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.948 0.404 . . . . 60.14 110.893 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.6 mt -58.92 -45.56 90.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 72.13 110.8 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.91 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 70.35 110.709 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.31 96.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.864 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 14.5 t -58.2 -30.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 74.32 110.908 179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -61.96 -27.1 68.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 74.12 110.942 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -86.03 8.3 21.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.266 -0.424 . . . . 73.03 111.586 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.401 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 23.4 t -83.55 104.18 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.845 0.355 . . . . 74.32 110.768 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.6 120.25 6.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.041 -0.527 . . . . 70.54 110.813 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.07 -24.04 19.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.782 -0.723 . . . . 74.01 112.766 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.401 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 48.4 t -80.67 121.48 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-O 120.795 0.331 . . . . 75.03 111.078 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -70.23 -52.34 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.092 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -166.77 169.17 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.961 -0.563 . . . . 71.54 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.28 134.89 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.061 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.4 131.23 36.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.428 -0.351 . . . . 71.41 111.254 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.3 117.23 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.727 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.7 t -85.85 139.32 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.369 -0.378 . . . . 70.32 111.21 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 12.8 p -160.0 -60.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 71.34 110.906 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m 61.32 170.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.34 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.01 89.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 72.03 111.11 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.255 -0.879 . . . . 73.41 111.083 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.856 0.36 . . . . 75.31 111.189 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.24 149.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 73.35 111.295 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -121.47 169.54 10.54 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.832 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.2 mm -139.38 132.03 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.333 -0.394 . . . . 71.33 111.473 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -103.41 104.75 14.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.369 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.7 112.76 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 120.925 0.393 . . . . 64.13 111.536 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 127.21 38.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.0 -0.546 . . . . 72.24 110.362 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.409 ' CB ' ' HA ' ' A' ' 69' ' ' VAL . . . -159.34 167.91 27.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 73.52 111.492 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.36 152.67 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 53.54 110.999 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -64.59 81.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.14 111.292 -179.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -153.71 129.85 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 75.44 110.63 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.471 ' CD2' ' CD1' ' B' ' 29' ' ' ILE . 0.1 OUTLIER -60.99 -27.24 68.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.465 -0.334 . . . . 72.33 110.564 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -26.01 23.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.385 -0.371 . . . . 72.34 111.14 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -68.2 -61.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 74.31 110.925 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.76 -32.54 69.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.006 -0.543 . . . . 74.45 110.459 179.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -67.39 -43.93 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.565 . . . . 64.41 110.276 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -63.07 -41.47 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.282 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.0 t -66.44 -38.13 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 75.21 110.806 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -66.05 -40.55 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.041 -0.527 . . . . 72.25 110.647 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -38.87 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 73.3 110.795 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -43.36 90.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.15 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.27 -45.34 84.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 75.54 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.68 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 73.12 111.07 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -60.39 -31.27 70.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 72.31 110.952 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.82 22.45 14.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.043 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 56.68 30.02 16.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 53.02 111.139 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -80.25 101.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 74.14 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 122.17 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.965 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.414 HG23 ' CD1' ' A' ' 46' ' ' PHE . 22.3 mt -96.43 130.06 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.3 mt -81.01 -34.66 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 72.1 110.948 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.15 171.51 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 72.51 110.975 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.419 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . . . -166.39 146.88 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 74.05 111.218 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 m -163.68 140.24 6.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 71.53 110.865 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.4 m -126.02 146.41 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.864 0.364 . . . . 74.4 111.472 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.857 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.9 p -79.98 109.17 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.975 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 t -58.3 -35.85 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 63.51 111.05 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 165.73 -93.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.517 -0.849 . . . . 61.22 112.887 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -102.38 112.38 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 74.35 111.452 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.25 36.62 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.009 -0.542 . . . . 75.1 111.56 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.2 m -137.56 121.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 74.23 111.047 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.19 120.17 34.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.158 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 19.5 mt -93.02 119.66 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.106 -0.497 . . . . 75.33 111.185 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -103.83 141.63 35.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.788 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.8 mtp180 -124.73 117.21 23.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.176 -0.465 . . . . 72.22 110.65 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 32' ' ' ALA . 0.1 OUTLIER -110.74 125.55 53.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.33 -0.395 . . . . 72.43 111.321 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 m -112.49 115.27 28.4 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.073 -0.512 . . . . 74.21 110.567 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -150.93 171.05 17.88 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.357 -0.383 . . . . 74.22 111.238 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -88.81 165.78 14.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 65.5 110.809 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -149.9 148.33 28.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.258 -0.428 . . . . 73.44 111.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.53 -45.9 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.713 . . . . 74.22 112.458 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.0 143.37 26.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.714 0.292 . . . . 72.15 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.33 -27.31 8.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.554 2.169 . . . . 73.44 112.384 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -34.6 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.006 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -77.56 -44.27 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.774 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.55 -32.98 64.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 75.0 110.246 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.12 -39.68 31.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.759 -0.734 . . . . 74.1 111.878 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.76 -30.98 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 71.33 110.75 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 5.4 mt -61.35 -44.71 96.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 71.53 110.761 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.91 -45.93 90.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 71.12 110.706 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.83 -42.13 98.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.44 110.65 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 71.12 110.824 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 25.7 t -57.85 -28.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 74.43 110.868 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -62.4 -29.42 70.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 71.53 110.8 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -80.63 -0.66 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 74.2 111.426 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.408 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 23.7 t -75.56 104.09 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.835 0.35 . . . . 74.54 110.834 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -51.68 120.18 4.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.581 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.28 -20.98 25.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.661 -0.781 . . . . 72.24 112.626 -179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.409 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 60.3 t -86.88 126.27 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.874 0.368 . . . . 72.24 111.114 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -79.51 -48.17 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 63.24 111.314 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -166.68 166.48 15.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.2 111.111 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.1 t -131.55 134.78 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.254 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -135.47 122.56 21.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.3 -0.409 . . . . 63.23 110.981 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.49 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 75.24 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 20.8 t -85.92 117.32 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.181 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -156.21 -75.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 75.33 110.885 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 p -88.19 113.26 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 75.34 110.868 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.19 -174.38 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.242 -0.885 . . . . 65.1 111.089 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.858 0.361 . . . . 74.32 111.219 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . 0.401 ' CG1' ' CG ' ' B' ' 74' ' ' ARG . 32.6 t -82.18 143.22 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 74.44 111.175 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.38 159.73 15.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.835 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 32.7 mt -146.67 132.06 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.084 -179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -104.54 135.46 45.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.094 -0.503 . . . . 65.12 110.855 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 t -118.47 112.84 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.238 -0.437 . . . . 62.13 111.08 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -94.19 136.73 34.16 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.903 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.37 147.47 17.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.53 111.192 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 pp -58.98 140.96 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.011 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 102.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.986 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.39 161.37 42.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.836 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' B' ' 13' ' ' ARG . 18.8 p-80 -81.79 146.3 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.948 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' HIS . 3.9 ttm-85 84.71 -20.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.967 -0.56 . . . . 73.14 111.73 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.83 -51.82 62.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.98 0.419 . . . . 72.4 110.795 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 43.9 mt -57.25 -51.68 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.979 -0.555 . . . . 73.21 110.548 179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.39 -34.77 72.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.79 -0.641 . . . . 63.11 110.445 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.55 -45.69 89.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 73.14 110.425 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 44.0 t -62.87 -48.09 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.641 179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.66 -36.87 84.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 74.4 110.204 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.04 -43.89 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 75.32 110.672 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.01 75.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 70.35 110.643 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.65 -31.73 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.75 -0.659 . . . . 75.11 110.544 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.88 -26.58 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 75.2 111.105 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.43 -28.23 12.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 74.53 111.13 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -120.86 18.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.12 111.214 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 50.03 31.5 4.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.472 -0.331 . . . . 75.5 111.234 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.58 98.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 53.42 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -64.05 106.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.876 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.471 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 4.4 mt -94.85 129.44 45.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 75.34 110.55 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 47' ' ' THR . 85.4 mt -74.71 -29.33 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.366 . . . . 74.53 110.417 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -136.65 131.43 33.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.876 179.493 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.28 121.42 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.545 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 90.8 p -163.58 141.34 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.903 0.382 . . . . 72.05 111.737 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.1 p -131.19 133.59 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.969 -0.559 . . . . 74.14 110.969 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.5 t -136.58 150.92 48.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.23 -0.441 . . . . 74.32 110.931 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 128.92 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.855 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -66.72 -67.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.823 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.61 -79.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 71.54 112.45 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.6 -66.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.794 0.33 . . . . 74.2 110.762 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -97.49 37.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.54 110.676 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.3 117.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 74.12 111.234 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.0 142.39 41.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 61.24 111.059 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 25.0 mt -130.11 116.73 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.264 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.404 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 4.8 t -104.98 152.26 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.76 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -138.85 118.43 12.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.37 -0.377 . . . . 75.41 110.469 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.404 ' HA ' ' O ' ' B' ' 31' ' ' SER . 70.7 m-85 -126.71 125.3 41.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.963 0.411 . . . . 74.55 111.399 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 30' ' ' LEU . 23.4 m -112.34 115.26 28.46 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.94 -0.573 . . . . 74.41 110.006 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -129.24 155.11 46.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 75.24 111.27 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -125.5 112.0 15.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.936 -0.575 . . . . 73.22 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mtp -150.05 165.77 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 70.1 110.991 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.37 25.96 8.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.808 -0.71 . . . . 74.52 112.514 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -106.36 104.47 50.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.494 0.188 . . . . 63.05 110.871 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -34.51 24.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.461 2.107 . . . . 74.11 112.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.31 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 73.14 110.883 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -44.27 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.62 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.58 -33.35 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 53.33 110.075 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.32 -42.37 28.32 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.701 -0.761 . . . . 72.44 111.799 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -72.39 -26.31 61.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.675 0.274 . . . . 73.44 110.878 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.56 -46.15 89.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.913 0.387 . . . . 60.14 110.975 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -49.6 76.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.029 -0.532 . . . . 72.13 110.798 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.59 -35.61 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 70.35 110.673 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.35 77.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 62.43 110.743 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 22.8 t -57.24 -31.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.89 -0.596 . . . . 74.32 110.939 179.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.92 -29.54 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.776 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -80.91 0.04 37.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.535 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.441 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.0 t -82.31 104.26 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-O 120.917 0.389 . . . . 74.32 110.661 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.16 120.04 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 70.54 110.899 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.08 19.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 74.01 112.906 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.441 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 59.5 t -78.03 121.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 120.914 0.388 . . . . 75.03 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -70.6 -56.22 7.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.519 . . . . 75.41 111.206 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -166.74 169.15 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.172 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 16.4 t -127.03 141.26 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.018 -0.537 . . . . 72.14 111.035 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -135.52 130.41 34.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.91 0.386 . . . . 71.41 111.507 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . 0.401 ' CG ' ' CG1' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -68.88 111.07 4.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.682 179.589 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 12.7 t -85.79 160.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 70.32 111.183 -179.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -175.58 -40.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 71.34 110.87 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -58.91 119.1 6.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 64.34 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.3 154.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 72.03 111.128 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.268 -0.873 . . . . 73.41 111.088 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.5 mt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.79 0.329 . . . . 75.31 111.247 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.0 t -82.28 138.26 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 73.35 111.14 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -109.65 171.2 7.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.048 -0.524 . . . . 74.21 111.125 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.42 HD11 ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt -139.92 138.99 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.327 -0.397 . . . . 71.33 111.429 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -110.86 106.8 16.07 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.084 -0.507 . . . . 71.15 110.593 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 27.4 t -104.51 112.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.293 -0.412 . . . . 64.13 111.28 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -91.89 129.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.963 -0.562 . . . . 72.24 110.528 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.32 163.4 35.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 73.52 111.338 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 tp -50.67 148.77 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 53.54 111.152 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.5 82.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.196 -179.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -153.64 120.45 5.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 75.44 110.787 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.457 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 27.7 t-80 -57.66 -26.3 61.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.742 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -57.54 -37.98 73.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 72.34 110.524 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 82.6 mt -64.67 -40.36 95.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 74.31 110.616 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -61.62 -50.26 73.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 74.45 110.472 179.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.0 t -60.81 -40.36 92.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 64.41 110.442 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.34 -41.21 98.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.567 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.3 t -68.44 -37.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 75.21 110.834 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.2 m -67.11 -37.11 83.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.52 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -62.12 -40.26 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 73.3 110.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 74.43 110.879 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.59 -54.35 29.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.815 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.067 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.5 -29.97 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.872 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 23.75 13.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 72.53 111.125 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 59.45 47.91 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 53.02 110.935 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 30.0 t -102.79 114.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 74.14 111.022 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -88.65 119.32 29.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.02 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.34 126.15 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.106 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.21 -31.1 60.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -171.27 166.72 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 72.51 111.083 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' CB ' ' CD1' ' A' ' 46' ' ' PHE . . . -168.07 149.26 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.05 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 16.9 t -163.61 135.28 4.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.973 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.2 p -122.5 141.33 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.931 0.396 . . . . 74.4 111.499 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -136.57 132.44 35.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.02 -0.536 . . . . 73.22 110.818 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 t -63.38 111.7 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.113 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 t -63.2 -76.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 63.51 110.827 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.67 -90.95 2.2 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 61.22 112.493 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -123.77 -72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.793 0.33 . . . . 74.35 110.966 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -97.71 32.94 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 75.1 110.673 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -137.58 121.14 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.701 . . . . 74.23 111.088 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -119.3 125.05 48.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.333 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.7 mt -89.84 109.27 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 75.33 110.819 179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.5 t -98.0 137.77 36.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.14 111.052 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -116.99 148.93 41.03 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.102 -0.499 . . . . 72.22 110.621 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.444 ' CD1' ' CB ' ' A' ' 32' ' ' ALA . 80.5 m-85 -147.08 125.42 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 72.43 111.239 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.6 m -111.25 116.41 30.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.885 -0.598 . . . . 74.21 110.496 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.42 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -150.98 139.14 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 74.22 111.189 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -88.88 125.23 34.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.154 -0.476 . . . . 65.5 110.929 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.418 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 6.9 mmm -149.86 165.43 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 73.44 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 -40.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.779 -0.724 . . . . 74.22 112.607 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.01 107.96 1.0 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.529 0.204 . . . . 72.15 111.137 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.04 -34.45 16.96 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.464 2.11 . . . . 73.44 112.324 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -64.38 -39.44 93.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -77.52 -38.92 47.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 71.35 110.515 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.24 -35.12 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 75.0 110.083 179.164 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -39.87 35.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.605 -0.807 . . . . 74.1 111.721 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -73.14 -31.19 64.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 71.33 110.736 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 10.0 tt -61.77 -46.75 88.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.961 0.41 . . . . 71.53 110.893 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -48.0 81.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 71.12 110.778 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -61.17 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.646 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.27 98.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.08 -0.509 . . . . 71.12 110.788 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 15.4 t -57.02 -29.65 32.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.889 179.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -59.97 -31.13 69.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 71.53 110.695 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -75.24 -6.98 52.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.325 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 28.0 t -72.79 104.06 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.875 0.369 . . . . 74.54 110.724 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.58 119.71 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.07 -0.514 . . . . 74.1 110.67 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.529 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 62.1 t -85.37 124.97 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.789 0.328 . . . . 72.24 111.154 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -74.97 -54.68 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.24 111.218 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -166.7 169.06 13.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 73.2 111.141 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.406 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.3 t -131.53 133.56 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.144 -0.48 . . . . 73.25 111.311 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.5 138.93 43.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.357 -0.383 . . . . 63.23 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 120.25 14.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 75.24 110.831 179.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.418 HG11 ' CG2' ' A' ' 76' ' ' THR . 58.6 t -86.0 160.56 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.226 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.418 ' CG2' HG11 ' A' ' 75' ' ' VAL . 9.1 p 60.04 -175.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.93 -0.577 . . . . 75.33 110.956 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -174.14 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 75.34 110.798 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.34 112.44 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 51.12 111.104 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.25 -0.881 . . . . 65.1 111.116 179.924 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.838 0.351 . . . . 74.32 111.19 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t -128.08 134.13 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.272 -0.422 . . . . 74.44 111.216 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.424 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -97.59 151.25 20.25 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.16 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 16.9 mt -136.03 132.03 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.217 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -105.08 104.75 14.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.517 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -106.09 112.97 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.23 -0.441 . . . . 62.13 111.515 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.04 144.71 28.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.628 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.4 160.74 35.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 75.53 111.262 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 19.9 tp -56.29 132.79 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.32 110.902 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -59.43 99.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.03 111.039 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -142.67 170.18 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 62.53 110.842 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -98.49 30.45 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.915 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -141.48 -43.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.14 111.052 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 17.3 mt -50.72 -38.07 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 72.4 110.978 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.15 -55.66 31.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.21 110.513 179.677 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.5 t -58.05 -31.87 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.78 -0.645 . . . . 63.11 110.485 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -66.04 -46.0 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.596 179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 11.8 t -64.24 -45.81 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 75.1 110.839 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.436 HG23 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.08 -37.23 80.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 74.4 110.132 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -70.6 -39.09 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 75.32 110.703 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.68 76.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 70.35 110.787 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.2 mt -69.77 -36.49 75.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.647 . . . . 75.11 110.549 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.44 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 75.2 111.137 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -53.05 -36.0 60.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.33 -0.396 . . . . 74.53 110.953 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.51 19.67 20.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.886 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 tttm 54.11 28.9 9.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.42 -0.354 . . . . 75.5 111.08 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 36.4 t -57.76 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 53.42 110.592 179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.12 100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.042 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.457 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 6.1 mt -90.84 130.06 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.856 -0.611 . . . . 75.34 110.337 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 47' ' ' THR . 77.1 mt -74.65 -29.17 61.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.903 0.382 . . . . 74.53 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.2 m -133.04 131.34 40.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.99 -0.55 . . . . 64.02 110.804 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.18 121.42 16.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 74.31 110.144 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.404 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 60.2 p -160.13 134.16 7.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.939 0.4 . . . . 72.05 111.919 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.15 138.09 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.024 -0.535 . . . . 74.14 111.066 179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 18.4 p -136.64 152.88 50.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.406 -0.361 . . . . 74.32 111.03 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -91.58 107.85 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -89.53 146.4 24.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.874 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.59 -82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 71.54 112.386 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -166.74 -66.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.323 . . . . 74.2 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -96.8 38.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.777 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.35 134.44 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 115.977 -0.556 . . . . 74.12 111.169 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.43 113.13 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 61.24 111.166 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 26.7 mt -95.75 125.14 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.055 -0.52 . . . . 62.24 111.243 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 150.28 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.893 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -135.1 119.96 18.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.281 -0.418 . . . . 75.41 110.343 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.427 ' CD1' HD11 ' B' ' 29' ' ' ILE . 61.5 m-85 -129.71 125.39 35.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.05 0.452 . . . . 74.55 111.616 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.433 ' O ' ' N ' ' B' ' 30' ' ' LEU . 88.4 m -116.07 119.64 36.51 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.791 -0.64 . . . . 74.41 110.092 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -138.23 147.33 43.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.973 0.416 . . . . 75.24 111.498 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -91.19 111.91 23.59 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.92 -0.582 . . . . 73.22 110.776 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 150.24 31.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.381 -0.372 . . . . 70.1 111.192 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.49 -32.29 1.81 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.885 -0.674 . . . . 74.52 112.374 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.03 110.67 3.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.481 0.181 . . . . 63.05 110.775 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.41 -27.31 33.91 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.449 2.099 . . . . 74.11 112.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -63.02 -40.37 97.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.888 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -77.5 -34.91 53.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 74.11 110.628 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -36.01 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 53.33 110.126 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.04 -38.17 36.01 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.753 -0.737 . . . . 72.44 111.816 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -30.41 52.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 73.44 110.78 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 7.5 tt -66.63 -55.28 16.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.933 0.396 . . . . 60.14 110.868 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -45.7 81.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.746 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.77 -38.78 92.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 70.35 110.65 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.75 95.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.827 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 23.1 t -57.83 -32.37 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 74.32 110.94 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -61.07 -26.99 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.892 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.91 -7.99 54.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 73.03 111.388 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 40.0 t -71.08 104.07 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 120.911 0.386 . . . . 74.32 110.583 179.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 62.7 tt0 -52.34 116.9 2.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 70.54 110.851 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.03 -19.6 27.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.811 -0.709 . . . . 74.01 112.742 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.5 p -70.91 126.09 30.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.337 . . . . 75.03 111.124 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -68.2 -60.52 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 75.41 110.836 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -167.21 169.1 12.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.54 111.069 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 33.1 t -131.38 126.42 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.115 -0.493 . . . . 72.14 111.003 179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.32 131.93 37.06 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.894 0.378 . . . . 71.41 111.25 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 8.2 mtm180 -69.83 119.48 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 73.22 110.747 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 14.5 t -85.76 147.6 5.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.389 . . . . 70.32 111.231 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -178.01 102.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 71.34 110.814 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -158.79 127.15 5.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 64.34 110.904 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.96 83.65 5.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.072 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.217 -0.896 . . . . 73.41 111.098 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.865 0.364 . . . . 75.31 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.03 139.82 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.188 -0.46 . . . . 73.35 111.293 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.79 161.47 14.39 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.068 -0.515 . . . . 74.21 110.976 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.401 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 21.0 mt -135.32 131.96 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.328 -0.396 . . . . 71.33 111.407 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.403 ' NE2' ' CG2' ' A' ' 43' ' ' ILE . 0.3 OUTLIER -104.84 105.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.26 -0.427 . . . . 71.15 110.495 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.6 t -104.11 112.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.279 -0.419 . . . . 64.13 111.486 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -93.1 128.02 38.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.439 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.403 ' CB ' ' HA ' ' A' ' 69' ' ' VAL . . . -158.02 168.09 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 73.52 111.401 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -53.43 144.54 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 53.54 110.947 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -63.55 81.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 71.14 111.085 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -153.49 142.07 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 75.44 110.884 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.475 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 19.5 t-80 -72.17 -10.56 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 72.33 111.253 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -69.06 -37.96 78.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.834 0.35 . . . . 72.34 110.827 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.28 -44.94 93.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.521 . . . . 74.31 110.856 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.68 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.59 . . . . 74.45 110.805 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 p -64.24 -42.48 96.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 64.41 110.465 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.83 -41.43 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 74.11 110.696 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 t -68.13 -37.42 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.512 . . . . 75.21 110.829 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -67.28 -37.91 84.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.544 . . . . 72.25 110.544 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -61.04 -39.55 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.3 110.713 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.05 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 74.43 110.947 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 86.7 mt -65.4 -45.37 84.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.08 -32.71 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.021 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.94 -33.48 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.31 111.004 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -104.76 22.06 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 72.53 111.197 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.47 30.17 12.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.396 -0.366 . . . . 53.02 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.4 t -73.78 110.84 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 74.14 111.066 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -74.69 113.89 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 63.02 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.5 mp -96.31 123.89 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 73.12 111.095 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 21.3 mt -75.08 -35.65 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.91 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.11 170.82 4.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 72.51 111.014 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.414 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -167.97 150.19 5.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.05 111.273 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -163.61 139.22 6.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 71.53 110.731 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 9.6 p -130.91 144.76 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 120.966 0.412 . . . . 74.4 111.416 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 33.6 p -134.46 148.27 50.55 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.996 -0.547 . . . . 73.22 110.836 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 t -73.65 108.14 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 71.24 111.121 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -59.34 -32.81 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 63.51 110.902 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 174.4 -109.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 61.22 112.673 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.32 113.61 25.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 74.35 111.07 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.42 35.4 17.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 75.1 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.8 m -137.42 130.36 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.099 179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.17 118.97 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.375 . . . . 74.01 111.263 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.403 ' CG2' ' NE2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -89.97 114.31 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 75.33 110.922 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.407 ' OG ' ' CE2' ' A' ' 46' ' ' PHE . 18.2 t -97.89 139.82 33.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.939 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 117.53 23.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.486 . . . . 72.22 110.575 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.414 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 98.1 m-85 -109.08 151.81 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.253 -0.43 . . . . 72.43 111.162 -179.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.7 m -133.73 118.75 18.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.959 -0.564 . . . . 74.21 110.526 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -150.65 153.69 36.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.282 -0.417 . . . . 74.22 111.089 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -110.57 111.87 23.4 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.165 -0.47 . . . . 65.5 110.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 ttp -150.03 146.99 27.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.759 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.29 29.58 5.9 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.567 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.46 100.23 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.558 0.218 . . . . 72.15 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.76 -42.95 63.83 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 73.44 112.34 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -31.91 73.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 72.32 110.943 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.49 -43.92 30.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.635 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 -32.7 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 75.0 110.093 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.98 -42.5 37.12 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.726 -0.75 . . . . 74.1 111.808 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -73.88 -33.7 64.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.848 0.356 . . . . 71.33 110.684 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.1 tp -61.62 -44.83 96.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.759 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -47.32 85.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 71.12 110.803 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.17 -39.38 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.695 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.106 -0.497 . . . . 71.12 110.742 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.88 -33.46 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 74.43 111.103 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -60.21 -28.48 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.327 -0.397 . . . . 71.53 110.768 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -80.23 -2.07 43.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.38 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.4 t -77.74 104.14 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 120.834 0.35 . . . . 74.54 110.696 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -52.69 120.27 5.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 74.1 110.691 179.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.13 -21.37 24.79 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.68 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 58.4 t -86.07 123.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.81 0.338 . . . . 72.24 111.03 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -52.46 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.279 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -166.75 169.17 13.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.215 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.401 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.7 t -128.64 136.3 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.196 -0.456 . . . . 73.25 111.262 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -135.51 121.97 20.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.426 -0.352 . . . . 63.23 111.273 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 116.57 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.804 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 24.1 t -85.84 131.41 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.275 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.0 p -143.98 -178.42 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.947 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -141.98 120.0 12.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 75.34 110.914 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.14 96.77 3.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 51.12 111.08 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.225 -0.893 . . . . 65.1 111.063 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 tp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.85 0.357 . . . . 74.32 111.167 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 t -82.19 141.84 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.44 111.188 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.414 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -103.58 154.57 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.147 -0.479 . . . . 72.13 111.07 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mt -132.38 132.03 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.206 -0.452 . . . . 75.25 111.555 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -109.23 108.12 18.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.966 -0.561 . . . . 65.12 110.393 179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -102.5 112.86 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.86 0.362 . . . . 62.13 111.711 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -97.15 132.54 42.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.681 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -154.17 169.91 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 75.53 111.383 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.31 150.98 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.53 . . . . 73.32 111.013 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -71.04 76.73 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.008 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.4 ttp85 -125.15 139.03 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.88 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -64.79 -44.69 89.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.15 111.054 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -30.91 71.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.055 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mt -56.36 -37.81 70.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 72.4 110.901 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 39.7 mt -59.76 -55.4 34.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 73.21 110.347 179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.83 -33.21 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 63.11 110.335 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.67 -44.94 92.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 73.14 110.376 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . 0.404 HG12 ' CE2' ' B' ' 46' ' ' PHE . 22.2 t -66.97 -39.22 82.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 75.1 110.746 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -38.72 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 74.4 110.457 179.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -70.58 -36.99 73.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.614 . . . . 75.32 110.826 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -54.63 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 70.35 110.799 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 64.0 mt -69.52 -33.23 72.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.812 -0.631 . . . . 75.11 110.543 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.47 -24.5 62.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 75.2 111.097 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -51.25 -35.44 37.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 74.53 110.923 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -107.56 21.13 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 73.12 110.841 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.93 29.5 10.06 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.334 -0.394 . . . . 75.5 110.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.5 t -59.32 89.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.42 110.674 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -63.97 100.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 74.34 110.698 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.475 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 7.5 mt -85.92 134.11 28.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 75.34 110.322 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 7.4 mt -74.33 -26.55 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.365 . . . . 74.53 110.852 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.422 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -143.4 133.87 24.82 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.793 179.56 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -132.79 121.63 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.413 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.42 ' O ' ' N ' ' B' ' 45' ' ' ARG . 0.9 OUTLIER -155.31 130.79 9.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.805 -0.358 . . . . 72.05 111.694 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -131.12 120.42 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.18 -0.464 . . . . 74.14 111.137 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 33.5 m -136.66 154.09 50.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.32 111.031 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 34.3 p -59.09 129.96 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.42 110.867 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -44.61 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.796 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -138.69 -76.75 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.898 -0.668 . . . . 71.54 112.407 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.93 -72.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.729 0.3 . . . . 74.2 110.815 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 34.25 1.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.062 0.458 . . . . 65.54 110.374 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 5.7 m -137.33 139.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.731 -0.668 . . . . 74.12 111.317 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.96 120.7 33.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 61.24 111.002 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 17.8 tt -106.47 132.83 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.249 -0.432 . . . . 62.24 111.339 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 50.6 m -103.36 155.05 18.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.932 -0.576 . . . . 61.43 110.528 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.2 OUTLIER -137.86 117.26 12.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.309 -0.405 . . . . 75.41 110.189 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.422 ' HA ' ' O ' ' B' ' 31' ' ' SER . 89.8 m-85 -125.34 125.22 43.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.048 0.452 . . . . 74.55 111.633 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' B' ' 30' ' ' LEU . 60.9 m -111.2 114.93 28.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.84 -0.618 . . . . 74.41 109.537 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.449 ' CE1' ' CG ' ' B' ' 50' ' ' MET . 1.9 p90 -143.34 160.82 39.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.116 0.484 . . . . 75.24 111.825 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.94 146.46 24.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 73.22 110.61 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 48' ' ' PHE . 0.8 OUTLIER -149.96 137.9 20.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.878 0.371 . . . . 70.1 111.197 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.06 -24.69 4.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.813 -0.708 . . . . 74.52 112.534 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.13 101.43 34.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.249 . . . . 63.05 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.94 -24.49 13.96 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 74.11 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -59.76 -40.1 87.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 73.14 111.117 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -77.29 -42.77 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.691 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 tp -67.12 -31.9 72.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.949 0.404 . . . . 53.33 110.032 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -45.01 21.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.806 -0.711 . . . . 72.44 111.803 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -26.58 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.719 0.295 . . . . 73.44 110.833 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -46.2 89.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.934 0.397 . . . . 60.14 110.965 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -59.39 -51.22 70.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.54 . . . . 72.13 110.83 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.12 -36.14 78.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 70.35 110.602 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.728 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 19.5 t -56.37 -30.87 31.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 74.32 110.964 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -31.51 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.718 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.52 -7.18 54.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.344 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.9 t -75.9 104.2 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.886 0.374 . . . . 74.32 110.71 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.29 120.15 4.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 70.54 110.895 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.08 -23.96 19.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 74.01 112.668 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.418 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 96.8 t -79.65 113.93 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.847 0.356 . . . . 75.03 110.964 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.78 -49.98 40.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.068 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.88 169.01 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 71.54 111.032 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -131.47 145.48 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.047 -0.524 . . . . 72.14 111.183 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -135.33 125.86 26.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.051 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -68.43 109.23 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 18.8 t -85.98 160.16 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 70.32 111.11 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER 171.06 -34.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.352 -0.385 . . . . 71.34 110.791 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 12.8 m -55.99 168.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 64.34 111.044 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.53 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 72.03 111.051 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.169 -0.92 . . . . 73.41 111.125 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.872 0.368 . . . . 75.31 111.168 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -82.23 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 73.35 111.206 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -106.5 159.81 15.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.176 -0.465 . . . . 74.21 111.003 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.41 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 21.8 mm -133.34 132.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.295 -0.411 . . . . 71.33 111.389 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.29 104.7 14.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.054 -0.521 . . . . 71.15 110.605 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.0 t -105.45 112.74 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.248 -0.433 . . . . 64.13 111.319 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -90.67 134.03 34.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 72.24 110.719 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.4 164.98 34.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 73.52 111.254 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -54.78 149.41 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 53.54 110.962 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.69 77.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.14 111.146 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.53 128.9 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.812 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.402 ' CB ' HG13 ' B' ' 29' ' ' ILE . 1.5 t-80 -58.98 -28.38 66.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 72.33 110.714 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -38.14 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 72.34 110.812 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 54.2 mt -67.57 -47.38 69.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 74.31 110.783 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.43 -44.82 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 74.45 110.557 179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 p -62.92 -41.72 99.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 64.41 110.404 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.32 -42.77 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 74.11 110.423 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -67.51 -35.95 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 75.21 110.679 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.0 m -66.35 -39.2 89.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 72.25 110.463 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.0 -43.85 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.009 -0.541 . . . . 73.3 110.536 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.55 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.56 . . . . 74.43 110.716 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.0 mt -65.99 -53.87 33.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.942 -0.572 . . . . 75.54 110.631 179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -38.54 72.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.999 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.81 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 72.31 110.817 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.41 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.18 45.2 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.912 0.387 . . . . 53.02 111.031 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.8 m -109.31 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.14 111.063 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -64.11 121.28 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.02 111.031 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.3 129.43 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.054 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.97 -33.0 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 t -170.35 171.52 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.068 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -164.55 145.12 7.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 74.05 111.165 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 m -163.61 133.93 4.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 71.53 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 43' ' ' ILE . 15.0 p -128.04 140.82 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-O 120.927 0.394 . . . . 74.4 111.531 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -127.99 154.08 46.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.024 -0.535 . . . . 73.22 110.915 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 p -75.9 127.8 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.055 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.7 t -109.55 76.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 63.51 110.836 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.61 -81.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 61.22 112.378 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -159.22 -68.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 74.35 110.86 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 45.8 mtt-85 -97.95 35.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.02 0.438 . . . . 75.1 110.683 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.44 143.33 34.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.788 -0.642 . . . . 74.23 111.126 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.32 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.01 111.241 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.61 107.9 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 75.33 110.643 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 1.9 p -98.3 131.41 44.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 73.14 111.158 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.84 117.11 29.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.02 -0.536 . . . . 72.22 110.538 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -109.13 125.59 52.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.959 0.409 . . . . 72.43 111.266 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -105.36 115.39 30.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.016 -0.538 . . . . 74.21 110.661 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 142.4 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.399 . . . . 74.22 111.184 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.82 127.41 35.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 65.5 110.859 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.0 165.86 31.41 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.336 -0.393 . . . . 73.44 111.012 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.65 -43.36 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 74.22 112.471 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.68 109.05 1.44 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.511 0.196 . . . . 72.15 111.019 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.75 -31.52 20.41 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.379 2.053 . . . . 73.44 112.412 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -40.82 92.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.787 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -77.58 -44.42 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.968 -0.56 . . . . 71.35 110.479 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.8 tt -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 75.0 109.997 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.77 -42.56 38.4 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.789 -0.72 . . . . 74.1 111.596 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.36 -33.27 73.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 71.33 110.636 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.51 -43.86 96.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 71.53 110.799 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.23 -49.45 77.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 71.12 110.821 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.0 -40.66 94.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.628 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.89 93.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 71.12 110.705 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 23.2 t -56.89 -30.94 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 74.43 110.96 179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -60.11 -30.13 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 71.53 110.799 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -76.16 -5.94 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.419 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 26.3 t -74.66 104.2 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 120.879 0.371 . . . . 74.54 110.667 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -51.16 119.82 4.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.544 . . . . 74.1 110.753 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -23.38 21.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.542 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 55.4 t -84.21 126.43 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.825 0.345 . . . . 72.24 111.141 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -73.43 -57.84 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.276 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.72 169.16 13.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.522 . . . . 73.2 111.069 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.41 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.8 t -124.67 136.1 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.103 -0.499 . . . . 73.25 111.276 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 133.48 38.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.905 0.383 . . . . 63.23 111.201 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 20.0 ttp180 -71.3 117.17 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.786 179.68 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.1 t -85.97 129.1 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.329 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 p -147.01 165.16 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.58 116.88 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 75.34 110.947 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.78 167.78 29.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 51.12 111.109 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.258 -0.877 . . . . 65.1 111.12 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.861 0.362 . . . . 74.32 111.184 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.31 143.4 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.44 111.12 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.58 169.52 8.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.143 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.6 mt -145.67 132.0 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.949 0.404 . . . . 75.25 111.398 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.53 108.76 20.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.019 -0.537 . . . . 65.12 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.6 112.99 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 62.13 111.593 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -96.65 128.31 43.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.745 179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -156.77 151.28 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 75.53 111.056 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 11.7 tp -52.78 146.47 10.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 73.32 111.123 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.29 95.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.099 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -125.51 -172.57 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 62.53 110.84 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -103.55 -31.36 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 73.15 110.976 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -96.68 -24.41 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.14 111.082 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 2.8 mt -55.55 -42.98 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 72.4 111.064 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -56.4 22.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.329 179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 56.9 p -59.43 -29.27 67.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 63.11 110.292 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -47.31 78.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.925 -0.579 . . . . 73.14 110.328 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 46.3 t -65.01 -44.53 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 75.1 110.451 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -38.63 87.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.819 -0.628 . . . . 74.4 110.143 179.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.17 -41.71 89.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.607 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.52 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 70.35 110.64 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 mt -76.69 -31.22 57.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.703 -0.68 . . . . 75.11 110.495 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.1 -29.09 67.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 75.2 111.099 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -50.73 -28.52 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.53 111.102 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -117.63 19.02 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 73.12 111.212 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 49.96 30.68 4.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.456 -0.338 . . . . 75.5 111.261 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.5 92.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 53.42 110.625 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -63.95 104.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.983 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.402 HG13 ' CB ' ' A' ' 12' ' ' HIS . 4.3 mt -91.91 135.84 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.867 -0.606 . . . . 75.34 110.348 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' THR . 29.6 mt -74.67 -22.35 58.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.729 0.299 . . . . 74.53 111.073 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.08 143.47 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.962 0.411 . . . . 64.02 110.994 179.631 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -142.22 121.62 13.19 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.0 -0.545 . . . . 74.31 110.278 179.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.8 m -154.67 138.08 15.86 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.97 0.414 . . . . 72.05 111.861 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 7.4 p -131.23 135.99 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.869 -0.605 . . . . 74.14 110.829 179.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.8 p -136.72 154.01 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 74.32 111.158 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 18.6 p -96.93 121.85 39.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.854 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -88.79 -80.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 74.14 111.231 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.69 2.91 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.667 -0.778 . . . . 71.54 112.933 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 68.42 -65.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 74.2 111.249 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.93 35.76 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 65.54 111.22 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.57 113.1 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 74.12 110.712 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.32 114.54 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 61.24 111.323 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.403 HG21 HD13 ' B' ' 43' ' ' ILE . 33.3 mt -102.58 109.77 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.942 -0.572 . . . . 62.24 110.928 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.93 149.4 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.43 110.781 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.59 117.94 11.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.524 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -121.78 125.25 46.09 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.143 -0.481 . . . . 74.55 111.235 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 41.5 m -111.0 115.24 29.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.13 -0.486 . . . . 74.41 110.194 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 3.4 p90 -138.85 171.34 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 75.24 111.175 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.42 165.78 14.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 73.22 110.678 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.1 ttp -108.9 141.26 41.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 70.1 111.178 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.88 -60.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.895 -0.669 . . . . 74.52 112.349 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -106.39 138.71 19.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.555 0.217 . . . . 63.05 110.794 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.27 -39.26 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.505 2.136 . . . . 74.11 112.383 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -63.83 -27.15 68.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 73.14 111.057 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -77.4 -44.38 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 74.11 110.727 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.93 -31.67 66.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 53.33 110.204 179.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.54 26.75 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 72.44 111.917 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.2 -29.08 42.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.695 0.283 . . . . 73.44 110.889 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.47 -45.36 94.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.889 0.376 . . . . 60.14 110.834 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -47.99 83.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 72.13 110.812 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -61.38 -36.96 81.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 70.35 110.786 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.51 86.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 62.43 110.811 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 13.9 t -58.2 -30.85 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.53 . . . . 74.32 110.918 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -62.69 -27.29 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.12 110.757 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.14 3.97 28.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.553 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 23.7 t -81.02 104.22 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-O 120.934 0.397 . . . . 74.32 110.645 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -53.72 120.17 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 70.54 110.871 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.05 -23.93 20.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.01 112.76 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 47.6 t -80.9 121.34 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.88 0.371 . . . . 75.03 110.941 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -69.0 -53.93 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 75.41 111.055 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -166.77 169.05 13.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.561 . . . . 71.54 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 24.0 t -131.15 139.35 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.993 -0.549 . . . . 72.14 111.107 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -135.18 122.49 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 71.41 111.18 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 109.21 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 73.22 110.812 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.408 ' CG1' ' N ' ' B' ' 76' ' ' THR . 97.9 t -86.13 158.07 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 70.32 111.212 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' THR . . . . . 0.408 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 7.9 m 57.96 33.45 23.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 71.34 111.053 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -99.11 87.55 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 64.34 110.886 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 58.85 173.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.03 111.09 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.215 -0.898 . . . . 73.41 111.069 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.855 0.36 . . . . 75.31 111.142 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.32 149.13 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 73.35 111.174 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -113.71 168.46 9.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.862 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.77 131.9 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.992 0.425 . . . . 71.33 111.455 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.01 143.93 29.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.931 -0.577 . . . . 71.15 110.29 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 15.4 t -141.19 112.71 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.869 0.366 . . . . 64.13 111.342 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -94.19 134.76 36.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 72.24 110.395 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.46 169.06 24.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.368 . . . . 73.52 111.464 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.0 tp -53.88 153.85 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 53.54 111.167 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -66.49 87.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.14 111.2 -179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.46 139.76 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 75.44 110.654 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.441 ' CD2' ' N ' ' A' ' 13' ' ' ARG . 0.3 OUTLIER -74.43 -35.0 63.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 72.33 110.918 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -61.71 -27.54 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 72.34 111.324 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.23 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 74.31 111.013 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 16' ' ' SER . 0.7 OUTLIER -61.72 -32.36 72.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.138 -0.483 . . . . 74.45 110.512 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.413 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 10.2 t -70.25 -43.67 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 64.41 110.41 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.34 -41.1 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 74.11 110.466 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 38.0 t -66.44 -44.53 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 75.21 110.665 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 m -63.22 -35.8 81.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 72.25 110.496 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 73.3 110.72 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.17 89.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.997 -0.547 . . . . 74.43 110.894 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 79.9 mt -67.22 -50.93 58.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 75.54 110.729 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.34 70.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.24 -29.63 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.46 22.81 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.025 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 60.58 40.42 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 53.02 111.043 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.7 t -95.25 102.7 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.108 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -73.71 119.92 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 63.02 110.959 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.33 130.07 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.12 111.114 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 40.0 mt -77.15 -35.66 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.863 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -170.94 170.42 6.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.97 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 46' ' ' PHE . . . -168.06 155.04 7.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 74.05 111.132 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -163.63 146.48 9.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.53 111.043 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.1 m -131.01 142.19 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.135 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -136.55 140.06 42.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.092 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.8 m -68.64 117.78 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.963 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -67.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 63.51 110.858 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.81 -95.35 1.56 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.817 -0.706 . . . . 61.22 112.315 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -118.15 -69.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 74.35 110.724 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.95 34.64 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 75.1 110.559 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.46 125.88 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 74.23 111.124 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.65 124.96 43.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.01 111.234 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.401 HG22 HD12 ' A' ' 43' ' ' ILE . 31.8 mt -89.86 143.2 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.136 -0.484 . . . . 75.33 110.79 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -130.41 153.59 48.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 73.14 111.187 -179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -143.92 149.76 37.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.92 -0.582 . . . . 72.22 110.551 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 32' ' ' ALA . 11.4 m-85 -149.22 125.49 10.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 72.43 111.217 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -104.16 123.25 46.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.968 -0.56 . . . . 74.21 110.623 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.92 135.7 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 74.22 111.096 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -88.81 125.8 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.175 -0.466 . . . . 65.5 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.2 mmt -149.87 165.72 31.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.322 -0.399 . . . . 73.44 111.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.47 -39.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.475 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.44 110.84 7.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.6 0.238 . . . . 72.15 110.916 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.2 -24.17 32.54 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.324 2.016 . . . . 73.44 112.453 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 72.32 111.092 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -77.26 -42.23 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.635 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.2 tt -73.64 -32.37 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 75.0 110.1 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.71 -45.1 36.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.794 -0.717 . . . . 74.1 111.645 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.11 -34.37 68.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.836 0.35 . . . . 71.33 110.497 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.2 mt -62.12 -44.36 96.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 71.53 110.667 179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.38 81.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 71.12 110.774 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.68 -40.16 93.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 75.44 110.594 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.85 94.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 71.12 110.682 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.13 -34.16 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 74.43 111.262 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 71.53 110.733 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -78.43 -4.24 47.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.364 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.402 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 21.2 t -77.64 104.15 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-O 120.846 0.355 . . . . 74.54 110.855 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.68 120.98 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.503 . . . . 74.1 110.747 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 72.24 112.623 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 59.7 t -84.37 125.52 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.843 0.354 . . . . 72.24 111.095 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.99 -55.64 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.256 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -166.72 169.18 13.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.335 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 39.9 t -126.68 138.1 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.802 -0.636 . . . . 73.25 111.199 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.42 120.39 18.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.423 -0.353 . . . . 63.23 111.168 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -61.67 111.62 1.92 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 75.24 110.889 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.2 t -85.99 158.71 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.24 -0.436 . . . . 75.21 111.232 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 p -147.93 -47.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.888 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.5 p -163.37 120.51 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 75.34 110.95 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.72 133.49 33.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 51.12 111.092 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.181 -0.914 . . . . 65.1 111.107 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.834 0.35 . . . . 74.32 111.143 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.1 t -82.23 149.12 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.44 111.202 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . 0.401 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -116.76 168.52 10.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.131 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.6 mt -140.41 132.12 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.262 -0.426 . . . . 75.25 111.382 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -109.36 105.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.439 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -102.62 112.84 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.207 -0.451 . . . . 62.13 111.555 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -96.85 134.81 39.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.405 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' B' ' 69' ' ' VAL . . . -159.37 162.18 35.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 75.53 111.383 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -57.24 140.04 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 73.32 110.856 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -60.08 107.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.104 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 164.49 30.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.53 110.776 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -90.5 -48.9 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.15 111.025 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.06 -23.11 58.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.14 111.018 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.3 tp -54.08 -42.23 69.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 72.4 111.075 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 42.0 tp -57.27 -50.44 72.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 73.21 110.501 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 64.3 m -60.29 -36.84 78.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 63.11 110.188 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.93 -45.23 95.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.536 . . . . 73.14 110.415 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 54.4 t -63.1 -50.89 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 75.1 110.687 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -34.32 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.89 -0.596 . . . . 74.4 110.305 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -45.73 66.01 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.616 179.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.31 -41.98 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.242 0.544 . . . . 70.35 110.31 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 13.6 mt -83.56 -27.96 28.91 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.489 -0.778 . . . . 75.11 110.181 178.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.61 -34.17 72.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.921 -0.581 . . . . 75.2 110.859 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -50.08 -27.42 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 74.53 110.853 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.19 -17.24 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.129 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt 71.44 43.01 0.64 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.937 0.398 . . . . 75.5 110.966 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.35 103.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 53.42 110.69 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.73 107.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 74.34 110.534 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mt -94.71 135.47 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.734 -0.667 . . . . 75.34 110.509 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 47' ' ' THR . 12.4 mt -74.48 -20.8 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 74.53 110.303 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.7 OUTLIER -154.77 134.05 12.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.113 -0.494 . . . . 64.02 110.631 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -135.88 121.64 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 74.31 110.34 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -157.96 140.89 14.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.007 0.432 . . . . 72.05 111.779 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.4 p -131.19 129.31 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.925 -0.579 . . . . 74.14 111.122 179.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 34.6 p -136.57 153.74 50.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.141 -0.481 . . . . 74.32 111.055 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -59.8 137.92 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.42 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -61.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.915 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.76 -91.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.421 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.11 105.78 14.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 74.2 110.892 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 60.82 39.61 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.19 154.59 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.108 -0.496 . . . . 74.12 111.17 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.08 138.15 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 61.24 110.928 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 tt -130.01 127.98 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 62.24 111.266 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 2.4 m -97.9 158.25 15.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 61.43 110.595 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 118.43 12.13 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.267 -0.424 . . . . 75.41 110.367 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.418 ' HA ' ' O ' ' B' ' 31' ' ' SER . 59.1 m-85 -123.4 125.3 44.71 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.143 -0.48 . . . . 74.55 111.283 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.447 ' O ' ' N ' ' B' ' 30' ' ' LEU . 45.0 m -114.39 115.16 26.88 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.831 -0.622 . . . . 74.41 109.963 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.403 ' CZ ' HD11 ' B' ' 56' ' ' LEU . 2.8 p90 -140.4 171.6 13.91 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.272 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.23 165.82 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 73.22 110.608 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.4 ptp -108.96 151.06 26.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.971 0.415 . . . . 70.1 111.296 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.75 -51.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.926 -0.654 . . . . 74.52 112.297 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.47 99.56 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.584 0.23 . . . . 63.05 110.795 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.43 -42.81 40.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.455 2.103 . . . . 74.11 112.591 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -62.74 -37.89 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.56 -41.84 37.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.553 . . . . 74.11 110.555 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.403 HD11 ' CZ ' ' B' ' 48' ' ' PHE . 0.3 OUTLIER -69.24 -33.01 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 53.33 110.125 179.479 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.69 -41.69 23.42 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.796 -0.716 . . . . 72.44 111.79 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -75.1 -24.31 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.647 0.261 . . . . 73.44 110.983 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.84 -50.91 72.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.021 0.439 . . . . 60.14 111.035 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mp -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.595 . . . . 72.13 110.913 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.32 -38.53 89.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 70.35 110.718 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.01 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.079 -0.51 . . . . 62.43 110.814 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 24.4 t -58.13 -31.83 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 74.32 110.989 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -62.51 -25.67 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.92 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.58 -12.09 60.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 73.03 111.377 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 40.6 t -65.09 103.96 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-O 120.919 0.39 . . . . 74.32 110.495 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.06 115.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 70.54 110.808 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -16.05 30.08 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.695 -0.765 . . . . 74.01 112.579 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' B' ' 8' ' ' ALA . 9.8 p -75.6 121.4 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.85 0.357 . . . . 75.03 111.145 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -71.09 -49.72 41.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 75.41 110.914 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.31 165.08 15.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.558 . . . . 71.54 111.077 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 33.1 t -131.51 132.35 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 116.07 -0.514 . . . . 72.14 110.809 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.26 128.98 32.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.82 0.343 . . . . 71.41 111.225 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.74 110.57 4.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.789 179.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' B' ' 76' ' ' THR . 87.0 t -85.76 158.74 3.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 70.32 111.186 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' THR . . . . . 0.404 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 6.8 m 62.63 85.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 71.34 110.962 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.8 m -165.88 103.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 64.34 110.835 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.05 105.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.121 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.23 -0.891 . . . . 73.41 111.149 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.877 0.37 . . . . 75.31 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -82.21 144.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 73.35 111.136 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.416 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -108.5 167.43 10.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.997 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.448 ' CD1' ' CE1' ' A' ' 48' ' ' PHE . 27.5 mt -141.92 133.15 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-O 120.899 0.38 . . . . 71.33 111.434 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.405 ' HB2' ' CG2' ' A' ' 75' ' ' VAL . 0.1 OUTLIER -105.55 104.87 14.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 110.723 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.8 t -103.87 112.7 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.321 -0.4 . . . . 64.13 111.268 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -90.63 133.8 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.788 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.35 166.86 30.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 73.52 111.27 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.9 mt -52.09 149.62 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 53.54 111.017 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.91 76.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.023 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.54 130.15 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.848 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.424 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 32.6 t60 -59.03 -21.33 58.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -57.96 -38.64 76.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.86 0.362 . . . . 72.34 110.885 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 74.31 110.767 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -59.75 -48.46 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 74.45 110.809 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -60.9 -41.22 95.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.91 -0.586 . . . . 64.41 110.585 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.69 -41.67 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.533 . . . . 74.11 110.569 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 37.6 t -66.74 -39.93 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 75.21 110.833 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -65.69 -36.91 85.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 72.25 110.612 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 73.3 110.714 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.39 98.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 74.43 110.943 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 24.4 mt -65.26 -49.28 70.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 75.54 110.817 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.43 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.508 . . . . 73.12 111.122 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -58.41 -31.1 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 72.31 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -108.94 25.86 11.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 72.53 111.088 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 30.48 15.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.375 . . . . 53.02 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 31.0 t -75.86 125.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.065 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -94.09 115.77 28.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 63.02 110.926 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -96.3 129.59 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.134 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 58.4 mt -75.15 -32.05 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 72.1 110.971 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.8 m -173.18 171.52 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.927 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.405 ' HB3' ' CD2' ' A' ' 46' ' ' PHE . . . -163.94 146.03 9.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 74.05 111.147 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -163.58 129.91 3.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.304 -0.407 . . . . 71.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 12.2 p -121.28 141.46 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.276 -0.42 . . . . 74.4 111.461 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.415 ' N ' HG22 ' A' ' 34' ' ' VAL . 3.5 p -136.49 154.12 50.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.891 179.79 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 121.07 8.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 71.24 111.015 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -66.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.51 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.26 -113.07 0.78 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 61.22 112.533 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -95.36 103.72 15.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 74.35 110.935 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 64.25 38.32 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 75.1 110.859 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.0 t -137.38 147.4 26.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.142 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.24 120.51 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.1 tp -97.91 120.25 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.199 -0.455 . . . . 75.33 111.195 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.44 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 4.2 p -98.77 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.056 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 18.3 mtt180 -116.13 117.12 29.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.066 -0.515 . . . . 72.22 110.519 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CD2' ' HB3' ' A' ' 32' ' ' ALA . 7.2 m-85 -112.4 129.43 56.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.325 -0.398 . . . . 72.43 111.346 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -107.9 124.0 49.46 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.984 -0.553 . . . . 74.21 110.608 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CE1' ' CD1' ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.78 171.13 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.149 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -88.54 165.74 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 65.5 110.842 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 7.6 ptp -109.03 144.52 36.93 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.44 111.103 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.6 -76.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.422 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.34 141.6 23.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.652 0.263 . . . . 72.15 110.823 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.9 -33.35 3.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.497 2.131 . . . . 73.44 112.417 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.525 . . . . 72.32 110.945 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.49 -44.39 28.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 71.35 110.657 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.3 mp -68.67 -33.88 74.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.062 0.458 . . . . 75.0 110.041 179.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.8 -40.0 37.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.678 -0.772 . . . . 74.1 111.658 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -32.62 70.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.744 0.307 . . . . 71.33 110.793 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.59 -47.16 85.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.02 0.438 . . . . 71.53 110.924 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mp -58.45 -48.35 81.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 71.12 110.837 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.44 -39.72 91.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.699 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.78 98.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 71.12 110.699 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.68 -32.62 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.892 -0.595 . . . . 74.43 111.094 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -60.7 -29.03 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 71.53 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.07 -2.94 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.436 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 22.0 t -76.4 104.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 120.852 0.358 . . . . 74.54 110.697 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.49 120.65 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 74.1 110.76 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.24 -24.02 19.34 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.728 -0.748 . . . . 72.24 112.606 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 52.1 t -83.02 127.36 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.819 0.342 . . . . 72.24 111.089 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -61.18 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 63.24 111.319 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.74 169.16 24.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.076 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.422 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 22.0 t -130.37 135.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.351 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 134.91 40.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.863 0.363 . . . . 63.23 111.264 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.17 113.86 5.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.833 179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.416 ' HB ' ' CB ' ' A' ' 3' ' ' ALA . 11.6 t -87.53 160.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.261 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p -147.17 57.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.887 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -75.55 132.5 40.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 75.34 110.922 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 58.9 106.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 51.12 111.116 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.289 -0.862 . . . . 65.1 111.11 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 1.5 tp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.783 0.325 . . . . 74.32 111.17 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t -128.04 137.67 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 116.194 -0.457 . . . . 74.44 111.256 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.37 165.2 11.29 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.163 -0.472 . . . . 72.13 111.062 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.411 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 32.9 mt -144.47 134.91 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.333 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.54 115.72 30.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.093 -0.503 . . . . 65.12 110.743 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -106.96 112.83 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.343 -0.39 . . . . 62.13 111.471 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -92.26 136.93 32.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.766 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.37 162.55 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 75.53 111.286 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.52 127.23 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 73.32 111.0 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -64.47 89.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.03 110.861 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 46.2 mtp180 -128.14 167.66 16.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -91.12 55.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.839 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -176.6 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 7.6 mt -54.03 -36.3 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 72.4 110.855 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -59.57 -54.92 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.527 . . . . 73.21 110.361 179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -32.49 70.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 63.11 110.136 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.14 -45.13 93.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 73.14 110.284 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 32.3 t -65.9 -42.56 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 75.1 110.487 179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.424 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.6 -39.95 80.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 74.4 110.159 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -37.86 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.876 -0.602 . . . . 75.32 110.75 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.99 83.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.733 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 58.5 mt -71.96 -33.94 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 75.11 110.511 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -24.21 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 75.2 111.175 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.44 -38.86 60.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 74.53 110.96 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -102.97 21.88 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 73.12 110.885 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.4 27.56 8.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 75.5 111.157 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.4 90.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 53.42 110.409 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -63.89 100.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 74.34 111.103 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.424 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 6.2 mt -89.05 137.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.01 -0.541 . . . . 75.34 110.077 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 47' ' ' THR . 15.9 mt -74.52 -23.31 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 74.53 111.045 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.83 139.61 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.383 -0.371 . . . . 64.02 111.043 179.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.07 127.54 26.7 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.008 -0.542 . . . . 74.31 110.327 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 45' ' ' ARG . 83.7 p -160.65 133.8 6.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 72.05 111.725 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.401 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.5 p -131.18 131.02 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.994 -0.548 . . . . 74.14 111.11 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 9.3 m -136.54 143.27 43.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.32 110.995 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -66.83 117.33 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.784 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.58 -52.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 74.14 110.942 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 154.6 100.24 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.471 -0.871 . . . . 71.54 113.206 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.9 t0 81.26 98.0 0.05 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.01 0.434 . . . . 74.2 111.938 179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 41.43 33.52 0.29 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.673 -0.694 . . . . 65.54 112.213 179.183 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 1.2 m -137.75 126.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.133 -0.485 . . . . 74.12 111.253 179.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.25 50.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 61.24 111.317 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 24.4 mt -130.04 126.35 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.023 -0.535 . . . . 62.24 111.059 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' SER . . . . . 0.401 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.9 OUTLIER -99.58 160.23 14.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 61.43 110.759 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 33' ' ' SER . 1.0 OUTLIER -141.05 127.95 20.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.323 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.403 ' CD1' HD13 ' B' ' 29' ' ' ILE . 82.5 m-85 -132.21 125.33 30.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.012 0.434 . . . . 74.55 111.754 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 30' ' ' LEU . 40.3 m -110.87 115.24 29.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.87 -0.605 . . . . 74.41 109.745 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.413 ' CE1' HD13 ' B' ' 56' ' ' LEU . 3.3 p90 -136.28 171.53 14.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.057 0.456 . . . . 75.24 111.327 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -88.14 165.75 14.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.894 -0.594 . . . . 73.22 110.738 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.4 ptm -108.87 144.31 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.315 -0.402 . . . . 70.1 111.4 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.28 -68.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.999 -0.62 . . . . 74.52 112.172 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.41 128.88 25.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.531 0.205 . . . . 63.05 110.509 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.41 -19.91 16.56 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.479 2.119 . . . . 74.11 112.787 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -43.98 87.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.793 0.33 . . . . 73.14 111.246 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' B' ' 56' ' ' LEU . 7.9 p80 -77.78 -37.98 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.733 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' N ' ' ND1' ' B' ' 55' ' ' HIS . 0.3 OUTLIER -73.02 -33.44 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 53.33 110.236 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.03 25.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.721 -0.752 . . . . 72.44 111.833 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -78.63 -26.16 45.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.685 0.279 . . . . 73.44 110.915 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 6.6 mt -61.79 -46.66 88.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.864 0.364 . . . . 60.14 110.895 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.38 -51.19 70.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 72.13 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -61.08 -34.5 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 70.35 110.664 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.34 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 62.43 110.869 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 17.8 t -56.91 -32.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 74.32 111.117 179.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -61.26 -28.38 69.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.831 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -81.11 0.78 34.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.638 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.424 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.9 t -81.31 104.14 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 120.891 0.377 . . . . 74.32 110.652 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.4 pt-20 -53.64 119.97 5.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.01 -0.541 . . . . 70.54 110.985 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.24 -24.07 19.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.751 . . . . 74.01 112.774 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.424 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 61.6 t -79.13 123.13 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 75.03 110.876 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -68.72 -59.58 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 75.41 111.087 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -166.7 169.13 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 71.54 111.179 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.411 ' CG1' ' CG2' ' B' ' 4' ' ' ILE . 20.7 t -125.48 136.87 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.046 -0.525 . . . . 72.14 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.37 129.02 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 71.41 111.079 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -66.0 114.22 5.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.826 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.423 ' CG1' ' N ' ' B' ' 76' ' ' THR . 92.4 t -86.0 158.8 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.242 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' THR . . . . . 0.423 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 82.2 p 51.84 88.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.861 -0.609 . . . . 71.34 111.245 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.1 m -147.15 32.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 64.34 110.834 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.1 175.63 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 72.03 111.217 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.236 -0.888 . . . . 73.41 111.073 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.857 0.36 . . . . 75.31 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.06 149.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.226 -0.443 . . . . 73.35 111.22 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.46 166.18 11.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.874 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.441 ' HB ' ' CZ ' ' A' ' 46' ' ' PHE . 36.1 mt -144.16 133.85 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.025 0.44 . . . . 71.33 111.533 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.407 ' O ' ' HA ' ' A' ' 72' ' ' VAL . 5.3 tt0 -103.08 130.49 50.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.744 -0.662 . . . . 71.15 110.332 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.425 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 8.5 t -124.88 112.87 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.848 0.356 . . . . 64.13 111.417 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -93.25 132.99 36.92 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.619 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.33 170.85 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.374 . . . . 73.52 111.329 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -52.36 149.69 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 53.54 111.086 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.04 78.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.14 111.224 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.49 133.35 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 75.44 110.807 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.461 ' CG ' ' CD1' ' B' ' 29' ' ' ILE . 2.8 t60 -59.74 -29.08 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.473 -0.33 . . . . 72.33 110.707 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -57.66 -34.83 69.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 72.34 111.131 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -60.01 -51.96 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 74.31 110.969 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 12' ' ' HIS . 0.6 OUTLIER -59.19 -42.39 90.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.97 -0.559 . . . . 74.45 110.717 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -62.78 -40.48 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 64.41 110.519 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.62 -45.86 88.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.582 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.2 -36.09 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.99 -0.55 . . . . 75.21 110.625 179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.8 m -66.84 -38.85 87.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.045 -0.525 . . . . 72.25 110.571 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -60.13 -38.77 84.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.57 . . . . 73.3 110.72 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.11 89.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 74.43 110.96 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.4 mt -63.79 -50.97 66.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 75.54 110.773 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.92 69.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.12 111.079 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.16 -30.63 66.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.54 21.88 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.145 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.61 39.65 27.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 53.02 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.8 t -90.08 127.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.14 111.085 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -90.15 115.41 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 63.02 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.38 120.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.082 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 6.2 mt -75.17 -35.62 61.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 72.1 111.009 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -163.23 163.05 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.51 111.07 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.404 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -161.28 140.41 10.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.22 -0.446 . . . . 74.05 111.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -163.66 138.53 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 71.53 110.679 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.434 HG11 ' CB ' ' A' ' 44' ' ' SER . 13.5 m -130.95 145.52 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.394 -0.366 . . . . 74.4 111.527 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.9 p -136.56 149.18 47.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.055 -0.521 . . . . 73.22 110.87 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 m -77.26 112.88 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.24 111.039 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.7 t -63.99 -58.09 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 63.51 110.758 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.92 -91.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 61.22 112.399 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -73.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 74.35 110.92 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.64 33.54 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 75.1 110.546 179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 3.1 m -137.52 118.52 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.718 -0.673 . . . . 74.23 111.3 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -117.93 125.44 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 74.01 111.223 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.445 HD13 HG23 ' A' ' 43' ' ' ILE . 18.5 mt -89.9 135.46 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 75.33 110.89 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.434 ' CB ' HG11 ' A' ' 34' ' ' VAL . 1.9 m -114.26 148.14 37.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 73.14 111.32 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.0 117.26 9.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 72.22 110.408 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.441 ' CZ ' ' HB ' ' A' ' 4' ' ' ILE . 23.7 p90 -138.1 132.66 32.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.031 0.443 . . . . 72.43 111.513 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 m -104.45 138.65 40.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 74.21 110.51 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -150.87 166.5 30.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.293 -0.412 . . . . 74.22 111.053 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -88.67 165.69 14.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 65.5 110.907 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.09 154.87 21.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.278 -0.419 . . . . 73.44 111.048 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.36 -80.99 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.815 -0.707 . . . . 74.22 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -98.63 139.25 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.602 0.239 . . . . 72.15 110.819 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.37 -32.56 7.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.461 2.107 . . . . 73.44 112.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -65.09 -35.16 80.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 72.32 110.866 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -77.47 -43.93 30.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.35 110.611 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.71 -31.61 66.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 75.0 110.073 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.42 -44.4 27.64 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.695 -0.765 . . . . 74.1 111.837 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -74.13 -30.76 62.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 71.33 110.708 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.82 -46.95 82.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 71.53 110.932 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.12 -50.07 74.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.766 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -61.55 -38.41 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.559 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.33 94.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.901 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -57.95 -33.68 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 74.43 110.997 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -61.52 -25.13 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 71.53 110.913 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -90.49 12.27 19.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.44 -0.346 . . . . 74.2 111.765 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 26.7 t -83.36 104.26 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.915 0.388 . . . . 74.54 110.7 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.65 120.35 6.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 74.1 110.692 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.26 -22.98 21.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 72.24 112.735 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 41.3 t -83.98 131.89 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 120.852 0.358 . . . . 72.24 111.124 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -50.91 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 63.24 111.297 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -166.78 169.12 13.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.146 -0.479 . . . . 73.2 111.232 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 5' ' ' GLN . 23.5 t -131.41 138.18 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.066 -0.515 . . . . 73.25 111.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -135.47 124.85 24.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.305 -0.407 . . . . 63.23 111.318 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.34 113.35 4.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 75.24 110.886 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 94.2 t -85.91 158.69 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.21 111.182 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.7 m 65.63 75.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 75.33 110.978 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 t -163.34 74.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 75.34 110.895 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.3 93.39 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 51.12 111.055 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.269 -0.872 . . . . 65.1 111.136 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.803 0.335 . . . . 74.32 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.08 145.89 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.208 -0.451 . . . . 74.44 111.189 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -111.84 168.06 9.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.063 -0.517 . . . . 72.13 111.013 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.419 HD12 HG22 ' B' ' 4' ' ' ILE . 36.4 mt -142.91 132.0 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.308 -0.405 . . . . 75.25 111.275 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -103.85 143.58 32.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.976 -0.556 . . . . 65.12 110.675 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.13 112.83 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.322 -0.399 . . . . 62.13 111.406 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -91.92 140.06 30.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.882 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.48 158.28 31.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.107 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 41.2 mt -57.85 134.52 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.15 107.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.038 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -153.38 169.61 22.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.53 110.922 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -101.28 31.25 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.885 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -141.99 -45.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.028 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 34.2 mt -56.0 -36.75 68.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 72.4 110.926 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.62 -56.78 17.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 73.21 110.294 179.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -30.75 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.785 -0.643 . . . . 63.11 110.293 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.56 -46.07 84.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.271 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -65.54 -42.53 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.358 179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.44 -40.57 81.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 74.4 110.159 179.378 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -68.02 -38.58 82.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 75.32 110.755 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -44.05 85.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 70.35 110.71 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.35 -36.41 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.663 . . . . 75.11 110.483 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.8 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 75.2 111.084 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.66 -32.23 50.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.927 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.57 17.33 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 73.12 111.088 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mttt 53.29 30.3 9.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 75.5 111.176 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.65 92.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 53.42 110.637 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.12 106.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 74.34 111.041 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.461 ' CD1' ' CG ' ' A' ' 12' ' ' HIS . 4.8 mt -92.54 136.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 75.34 110.349 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 38.5 mt -74.69 -21.63 59.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.53 110.634 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.7 OUTLIER -158.95 131.35 6.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.24 -0.436 . . . . 64.02 110.822 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.49 130.19 47.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.002 -0.544 . . . . 74.31 110.386 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.412 ' O ' ' N ' ' B' ' 45' ' ' ARG . 52.2 p -160.65 140.55 11.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 120.746 -0.382 . . . . 72.05 111.677 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.0 p -131.15 131.94 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.073 -0.512 . . . . 74.14 111.18 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -136.61 151.57 49.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.946 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.4 p -82.6 139.48 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.32 -30.28 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.915 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.72 -82.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.43 -69.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 74.2 110.777 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.94 35.79 1.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 65.54 110.589 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.29 121.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 74.12 111.296 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.22 145.25 36.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 61.24 110.937 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . 0.422 HD11 HG21 ' B' ' 43' ' ' ILE . 26.3 mt -130.13 116.16 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.233 -0.439 . . . . 62.24 111.284 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -98.08 152.85 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.672 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.0 OUTLIER -143.75 118.64 9.95 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.406 -0.361 . . . . 75.41 110.463 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.414 ' CD1' HD11 ' B' ' 29' ' ' ILE . 72.6 m-85 -123.02 125.23 44.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.25 -0.432 . . . . 74.55 111.478 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' B' ' 30' ' ' LEU . 35.4 m -109.9 115.34 29.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.714 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -144.88 171.54 14.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.063 0.458 . . . . 75.24 111.394 -179.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.2 153.4 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 73.22 110.651 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -108.96 139.1 44.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.923 0.392 . . . . 70.1 111.33 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 -56.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.303 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -106.33 134.53 19.74 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.564 0.221 . . . . 63.05 110.809 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.31 -29.22 6.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.473 2.115 . . . . 74.11 112.497 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -66.32 -36.34 82.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 73.14 111.071 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.42 -44.48 28.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 74.11 110.734 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -31.63 65.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 53.33 110.267 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.79 25.87 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.749 -0.738 . . . . 72.44 112.004 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -77.49 -27.63 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.75 0.309 . . . . 73.44 110.912 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 10.7 mt -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 60.14 110.942 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.35 -51.52 69.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 72.13 110.749 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.86 -35.32 76.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 70.35 110.618 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.0 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 62.43 110.768 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 21.3 t -56.11 -32.56 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.861 -0.608 . . . . 74.32 111.085 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -60.58 -30.15 69.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 74.12 110.834 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.95 -0.02 37.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.558 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.415 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 23.8 t -80.42 104.25 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.969 0.414 . . . . 74.32 110.59 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 119.27 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 70.54 110.994 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.0 19.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 74.01 112.782 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.415 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 48.2 t -80.75 123.87 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.831 0.348 . . . . 75.03 111.019 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -61.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.968 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -166.74 169.1 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.912 -0.585 . . . . 71.54 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -121.5 140.43 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.106 -0.497 . . . . 72.14 111.15 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.38 127.99 30.79 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.389 -0.369 . . . . 71.41 111.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 9.6 ttt180 -65.39 109.18 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.824 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 21.9 t -86.26 158.8 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.277 -0.419 . . . . 70.32 111.207 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.0 144.78 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 71.34 110.897 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.83 173.42 6.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.881 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.76 124.13 3.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.03 111.107 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.163 -0.923 . . . . 73.41 111.106 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.895 0.379 . . . . 75.31 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 t -82.28 138.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 73.35 111.218 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.57 156.1 18.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.993 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 27.1 mt -138.8 136.96 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.331 -0.395 . . . . 71.33 111.485 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -110.39 113.32 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.159 -0.473 . . . . 71.15 110.415 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.423 HG22 ' CE2' ' A' ' 46' ' ' PHE . 21.6 t -109.42 112.8 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.867 0.365 . . . . 64.13 111.509 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.68 126.72 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 72.24 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 166.83 30.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.851 0.357 . . . . 73.52 111.388 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.01 141.55 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 53.54 110.825 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -62.24 82.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 71.14 111.147 -179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' ND2' ' B' ' 28' ' ' ASN . 6.4 mtt-85 -153.46 125.67 7.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.866 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.495 ' CD2' ' CD1' ' B' ' 29' ' ' ILE . 10.3 t-80 -61.02 -19.4 61.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 72.33 110.888 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -35.96 82.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 72.34 110.62 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 72.1 mt -67.44 -58.54 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 74.31 110.873 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.412 HD13 ' CD2' ' A' ' 12' ' ' HIS . 4.6 pp -56.75 -33.75 66.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.04 -0.527 . . . . 74.45 110.525 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 31.3 t -67.83 -47.46 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 64.41 110.528 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.464 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.5 t -69.96 -37.98 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 75.21 110.698 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.7 m -65.86 -37.55 86.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 72.25 110.5 179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -59.91 -40.43 88.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 73.3 110.534 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.2 84.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.804 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 26.0 mt -64.17 -52.82 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 75.54 110.682 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.56 81.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.933 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.44 -29.42 69.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.79 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.32 15.6 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.53 111.233 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.16 31.18 19.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.787 0.327 . . . . 53.02 111.008 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 28.1 t -84.33 102.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 74.14 111.008 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -72.46 114.43 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.965 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -96.34 127.8 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.12 111.046 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -75.14 -33.75 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 72.1 111.016 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 p -173.16 171.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 72.51 110.807 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.51 152.59 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 74.05 111.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 m -163.63 139.0 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.911 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 8.1 m -130.99 135.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.399 -0.364 . . . . 74.4 111.435 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 144.78 44.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.923 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -59.57 117.85 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.106 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.5 t -67.89 -42.14 81.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 63.51 110.955 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -177.23 -101.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 61.22 112.599 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -100.04 110.59 22.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 74.35 111.042 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 53.36 35.48 20.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 75.1 111.107 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -137.42 139.22 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.031 179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.22 122.93 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 74.01 111.246 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.4 mt -89.81 109.29 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.029 -0.532 . . . . 75.33 111.022 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 4.3 m -98.01 140.75 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.843 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -129.49 117.24 20.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.276 -0.42 . . . . 72.22 110.734 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.423 ' CE2' HG22 ' A' ' 6' ' ' VAL . 73.0 m-85 -113.14 125.59 54.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.302 -0.408 . . . . 72.43 111.169 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.4 m -109.87 122.17 46.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.037 -0.529 . . . . 74.21 110.71 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.78 171.12 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 74.22 111.081 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 119.06 21.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.095 -0.502 . . . . 65.5 110.944 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 mmm -149.97 165.85 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.916 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.6 25.8 3.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 74.22 112.601 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.5 99.63 25.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.556 0.217 . . . . 72.15 110.899 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.08 -41.88 71.77 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.395 2.063 . . . . 73.44 112.387 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -33.15 75.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.998 -0.546 . . . . 72.32 110.931 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -77.42 -42.48 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 71.35 110.7 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -74.3 -32.63 62.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 75.0 110.128 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.56 -39.04 31.06 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 74.1 111.906 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -78.7 -30.5 46.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.713 0.292 . . . . 71.33 110.784 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.9 tt -64.11 -48.15 77.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.933 0.397 . . . . 71.53 110.917 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -48.62 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.856 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.98 -39.92 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.603 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.35 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 71.12 110.751 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 19.8 t -56.97 -30.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 74.43 110.95 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -60.11 -30.42 69.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.53 110.787 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -78.99 -2.7 41.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.444 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.405 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 22.8 t -76.19 104.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.88 0.372 . . . . 74.54 110.791 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -53.12 118.71 3.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.675 179.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.48 28.23 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.656 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 60.0 t -88.28 128.21 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.24 111.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.32 -55.52 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 63.24 111.328 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -163.32 169.14 19.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 73.2 111.35 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.417 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 24.5 t -131.25 132.68 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.205 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 131.17 35.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.803 0.335 . . . . 63.23 111.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.3 ttt180 -68.17 121.33 15.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.759 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.1 t -85.9 138.12 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.346 -0.388 . . . . 75.21 111.264 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -170.08 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.832 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 p -73.01 93.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 75.34 110.885 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.8 92.88 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 51.12 111.11 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.254 -0.879 . . . . 65.1 111.045 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.855 0.359 . . . . 74.32 111.176 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 t -82.24 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 74.44 111.308 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -124.69 171.15 10.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.135 -0.484 . . . . 72.13 110.927 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 21.7 mt -141.71 131.96 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.363 -0.381 . . . . 75.25 111.484 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.74 106.13 16.5 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.483 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.0 t -102.57 112.88 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.925 0.393 . . . . 62.13 111.625 -179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -95.84 134.71 38.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.073 -0.512 . . . . 75.13 110.693 179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.39 162.36 35.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 75.53 111.263 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 6.1 mt -58.87 136.87 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.949 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -61.15 86.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.881 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.03 149.1 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 62.53 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -71.23 -42.38 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -32.86 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.886 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 10.2 tp -57.55 -46.65 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 72.4 110.826 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 33.6 tp -57.69 -47.22 82.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 73.21 110.516 179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.7 m -63.03 -32.7 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.791 -0.64 . . . . 63.11 110.342 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -46.42 80.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.555 . . . . 73.14 110.437 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.6 t -63.31 -46.95 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.496 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 21.7 m -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.775 -0.648 . . . . 74.4 110.095 179.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -39.53 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 75.32 110.688 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.98 -44.56 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 70.35 110.599 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.43 ' HB2' ' CE1' ' A' ' 12' ' ' HIS . 1.8 mt -74.02 -35.87 64.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.674 . . . . 75.11 110.392 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -28.73 69.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 75.2 111.065 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.11 -30.67 49.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.968 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.61 16.8 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.253 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt 54.76 33.36 19.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.419 -0.355 . . . . 75.5 111.103 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 61.1 t -59.52 89.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 53.42 110.551 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . 0.406 ' ND2' ' NH1' ' A' ' 11' ' ' ARG . 13.2 t-20 -63.88 107.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.02 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.495 ' CD1' ' CD2' ' A' ' 12' ' ' HIS . 3.4 mt -96.24 135.32 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.882 -0.599 . . . . 75.34 110.264 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.5 mt -74.56 -21.27 59.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 74.53 110.45 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -156.19 131.3 9.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.554 179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -131.21 128.79 40.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.09 -0.505 . . . . 74.31 110.606 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.7 p -161.09 140.62 10.55 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.969 0.414 . . . . 72.05 111.671 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.1 135.02 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.995 -0.548 . . . . 74.14 111.018 179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 t -136.64 153.97 50.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.32 111.043 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.65 121.51 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.821 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -28.02 54.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.064 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . 0.405 ' N ' ' CG2' ' B' ' 41' ' ' VAL . . . 167.44 -125.88 1.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.621 -0.8 . . . . 71.54 112.535 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.1 108.42 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 74.2 110.919 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 56.19 37.88 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 65.54 111.048 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' B' ' 38' ' ' GLY . 1.4 m -137.34 142.69 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.006 -0.543 . . . . 74.12 111.161 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.05 126.63 28.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 61.24 111.047 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 2.8 tt -112.14 126.49 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.247 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 156.96 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 61.43 110.666 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -138.15 117.91 13.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.315 -0.402 . . . . 75.41 110.461 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -122.54 125.18 45.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.236 -0.438 . . . . 74.55 111.347 -179.614 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 30' ' ' LEU . 30.4 m -112.85 115.39 28.39 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.845 -0.616 . . . . 74.41 109.761 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.425 ' HB3' ' HA ' ' B' ' 29' ' ' ILE . 1.0 OUTLIER -145.11 171.15 14.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.997 0.427 . . . . 75.24 111.635 -179.23 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -88.57 164.31 15.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.836 -0.62 . . . . 73.22 110.872 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.7 ttp -109.13 162.14 14.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.349 -0.387 . . . . 70.1 111.178 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.15 -70.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.815 -0.707 . . . . 74.52 112.376 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.01 100.82 30.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.613 0.244 . . . . 63.05 110.696 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.29 -25.3 9.66 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.613 2.209 . . . . 74.11 112.69 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -44.35 96.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 73.14 111.066 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . 0.414 ' CD2' ' N ' ' B' ' 56' ' ' LEU . 2.3 p-80 -77.63 -40.7 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.46 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' N ' ' CD2' ' B' ' 55' ' ' HIS . 0.2 OUTLIER -64.46 -39.79 94.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 53.33 109.869 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -41.45 58.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.716 -0.754 . . . . 72.44 111.465 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -33.34 73.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.293 . . . . 73.44 110.845 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.91 -47.99 78.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.385 . . . . 60.14 110.958 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.41 -50.17 74.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 72.13 110.856 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.92 -36.81 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 70.35 110.645 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 62.43 110.833 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 16.7 t -57.27 -32.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 74.32 111.065 179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -60.72 -27.95 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.806 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -83.54 3.47 32.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.624 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . . . . . . . . . 21.9 t -81.5 104.21 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 120.932 0.396 . . . . 74.32 110.727 179.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.94 120.11 5.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.987 -0.551 . . . . 70.54 110.852 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.04 19.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 74.01 112.622 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 45.5 t -82.17 122.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 75.03 111.047 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -60.81 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.83 169.08 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 71.54 110.989 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.7 t -130.17 137.57 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.185 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.22 125.02 25.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.211 -0.45 . . . . 71.41 111.099 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -65.93 112.74 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 t -85.81 133.72 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 70.32 111.158 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -163.35 -67.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 71.34 110.926 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 88.7 p -101.62 33.71 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 64.34 111.002 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.23 85.3 2.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 72.03 111.063 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.205 -0.902 . . . . 73.41 111.15 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.794 0.331 . . . . 75.31 111.199 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.07 144.94 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.208 -0.451 . . . . 73.35 111.197 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -99.57 162.25 13.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.264 -0.425 . . . . 74.21 110.986 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.0 mt -142.53 132.02 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 71.33 111.588 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -106.37 108.45 19.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.09 -0.505 . . . . 71.15 110.504 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.5 t -104.24 112.93 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 120.868 0.366 . . . . 64.13 111.617 -179.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.72 125.69 37.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.564 179.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 69' ' ' VAL . . . -159.41 157.0 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 73.52 111.386 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.42 ' CD1' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -52.05 151.57 3.63 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.219 -0.446 . . . . 53.54 110.742 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 31.7 p-10 -64.18 87.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 71.14 111.769 -179.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.0 tpp180 -153.74 116.94 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.598 179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.404 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 2.0 t60 -53.34 -29.24 33.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.764 0.316 . . . . 72.33 110.85 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -52.18 -30.17 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.355 -0.384 . . . . 72.34 110.839 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' CD2' ' CD1' ' A' ' 9' ' ' LEU . 3.0 mm? -67.54 -45.96 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 74.31 110.54 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.13 -46.68 89.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.801 -0.636 . . . . 74.45 110.643 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 t -63.61 -40.21 96.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 64.41 110.428 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -41.78 96.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.6 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.3 -36.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 75.21 110.792 179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 65.9 m -68.42 -38.68 81.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.25 110.504 179.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -40.45 97.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 73.3 110.665 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.88 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 74.43 110.886 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 10.3 mt -66.26 -46.29 77.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.696 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.07 75.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.858 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.96 -29.49 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.722 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 4.3 mp0 -109.95 28.41 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.941 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 5.6 pttt 47.0 31.78 1.65 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 53.02 111.127 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.81 111.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 74.14 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -80.1 117.6 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.3 mp -96.34 131.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.008 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.08 -33.5 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 72.1 111.167 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.3 m -173.12 171.59 4.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 72.51 111.084 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.41 ' HB2' ' CD2' ' A' ' 46' ' ' PHE . . . -165.71 145.0 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 74.05 111.046 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -163.56 135.5 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 71.53 111.067 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 35' ' ' THR . 12.3 p -131.06 140.11 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.351 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.403 ' N ' HG21 ' A' ' 34' ' ' VAL . 3.6 t -136.57 139.82 42.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -68.29 115.56 7.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.963 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.91 -51.01 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 63.51 110.87 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.95 -91.78 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.824 -0.703 . . . . 61.22 112.411 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.94 -73.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 74.35 110.834 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -97.38 34.0 1.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 75.1 110.515 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.5 m -137.43 111.43 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.753 -0.658 . . . . 74.23 111.375 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -111.83 119.38 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.009 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.492 HD11 HG23 ' A' ' 43' ' ' ILE . 26.4 mt -89.87 116.66 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.148 -0.478 . . . . 75.33 111.225 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -97.97 148.97 22.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.755 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.45 117.17 10.94 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.183 -0.462 . . . . 72.22 110.579 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.41 ' CD2' ' HB2' ' A' ' 32' ' ' ALA . 61.6 m-85 -118.32 143.69 46.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.17 -0.468 . . . . 72.43 111.153 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.6 m -124.83 128.0 48.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.6 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -150.64 170.82 18.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.315 -0.402 . . . . 74.22 111.088 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -137.33 112.0 8.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.086 -0.506 . . . . 65.5 110.943 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -150.01 153.65 36.88 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.955 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.43 26.39 13.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.484 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.37 101.59 36.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.52 0.2 . . . . 72.15 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.44 -37.47 17.3 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.389 2.06 . . . . 73.44 112.32 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.01 82.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.027 -0.533 . . . . 72.32 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -40.68 43.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 71.35 110.438 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -32.84 72.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 75.0 109.902 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.37 -44.0 29.29 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 74.1 111.638 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -30.89 68.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 71.33 110.693 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -49.88 72.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 71.53 110.86 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -46.56 85.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.961 -0.563 . . . . 71.12 110.833 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.743 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.07 97.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.809 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 13.1 t -57.73 -29.98 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.883 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -61.42 -29.2 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 71.53 110.807 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -80.68 -1.06 40.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.272 -0.422 . . . . 74.2 111.446 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.4 t -76.11 104.11 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.961 0.41 . . . . 74.54 110.74 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.27 120.78 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.616 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -23.14 21.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.678 -0.772 . . . . 72.24 112.513 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.407 ' HA ' ' CB ' ' A' ' 8' ' ' ALA . 38.4 t -87.13 123.51 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.24 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -54.4 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.076 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 73.2 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.7 t -131.39 137.07 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.158 -0.473 . . . . 73.25 111.279 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.39 127.83 30.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.282 -0.417 . . . . 63.23 111.324 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.32 113.51 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.763 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.407 ' HB ' ' CB ' ' A' ' 3' ' ' ALA . 1.4 t -85.84 171.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 75.21 110.871 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.7 t -83.78 157.78 21.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 75.33 110.953 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 p -167.49 85.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 75.34 110.858 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.73 132.59 51.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 51.12 111.11 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.255 -0.878 . . . . 65.1 111.099 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.827 0.346 . . . . 74.32 111.152 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.25 149.11 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 74.44 111.33 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.02 157.67 28.38 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.1 -0.5 . . . . 72.13 110.884 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.422 HD12 ' CE1' ' B' ' 48' ' ' PHE . 2.9 mp -137.34 132.06 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.384 -0.371 . . . . 75.25 111.357 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -106.29 106.48 17.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.132 -0.486 . . . . 65.12 110.529 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -103.55 112.89 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.327 -0.397 . . . . 62.13 111.477 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -94.13 139.24 31.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.724 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.42 158.72 32.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.333 -0.394 . . . . 75.53 111.152 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.5 140.3 56.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.874 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.78 102.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -153.39 169.19 23.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.845 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.92 31.29 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.831 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.37 -45.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 73.8 mt -55.89 -39.77 72.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 72.4 110.882 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.6 mp -59.21 -55.36 35.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 73.21 110.358 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -58.91 -31.01 68.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 63.11 110.197 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.79 -47.68 79.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 73.14 110.379 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 47.4 t -64.93 -41.98 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.963 -0.562 . . . . 75.1 110.615 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.52 -38.5 80.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 74.4 110.21 179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.96 -40.26 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 75.32 110.707 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.35 91.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 70.35 110.579 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 68.1 mt -73.85 -33.55 64.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.836 -0.62 . . . . 75.11 110.613 179.587 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.35 -23.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 75.2 111.197 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -52.42 -30.96 32.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.055 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -111.52 18.45 19.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.176 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp 52.43 28.67 6.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 75.5 111.272 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.55 96.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 53.42 110.844 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -64.0 100.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.776 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.434 HG23 ' O ' ' B' ' 31' ' ' SER . 16.3 mt -83.42 136.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 75.34 110.728 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 91.3 mt -74.73 -21.47 59.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 74.53 111.194 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.434 ' O ' HG23 ' B' ' 29' ' ' ILE . 0.9 OUTLIER -160.3 131.09 5.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 64.02 111.311 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.2 130.45 48.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.952 -0.567 . . . . 74.31 110.553 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 45' ' ' ARG . 41.3 t -159.6 132.71 6.93 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.828 -0.349 . . . . 72.05 111.509 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.5 p -131.06 126.67 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.16 -0.473 . . . . 74.14 111.308 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 78.7 m -136.55 152.77 50.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.32 110.921 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -84.08 136.86 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -83.7 -32.4 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.807 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.09 -92.44 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.279 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.28 -69.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 74.2 110.765 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -98.17 34.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.54 110.467 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 p -137.4 119.93 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.795 -0.639 . . . . 74.12 111.289 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.73 148.04 33.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 61.24 111.036 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 29.0 mt -130.11 114.2 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.226 -0.443 . . . . 62.24 111.374 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.04 151.63 20.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.693 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' B' ' 33' ' ' SER . 8.5 mtp85 -138.69 117.31 12.17 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.487 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -120.96 125.22 46.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.164 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 69.2 m -115.04 115.33 26.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.913 -0.585 . . . . 74.41 109.829 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.422 ' CE1' HD12 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -145.78 171.32 14.94 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.023 0.44 . . . . 75.24 111.471 -179.472 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.43 159.86 17.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.853 -0.612 . . . . 73.22 110.608 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ptp -109.04 151.8 25.88 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.281 -0.418 . . . . 70.1 111.249 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.98 -63.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.92 -0.657 . . . . 74.52 112.349 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.38 140.91 21.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.638 0.256 . . . . 63.05 110.78 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.76 -34.92 2.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 74.11 112.489 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.84 -35.37 80.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.973 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -77.54 -43.72 31.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.756 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -32.53 64.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.277 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.42 -39.94 29.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.689 -0.767 . . . . 72.44 111.921 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -77.71 -29.3 51.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.725 0.298 . . . . 73.44 110.881 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tt -63.72 -48.12 78.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 60.14 110.917 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.37 -49.91 75.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.826 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.34 -37.41 83.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 70.35 110.565 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.87 98.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 62.43 110.82 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 20.8 t -57.12 -31.68 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 74.32 110.949 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -61.39 -28.69 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.857 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.4 -0.22 36.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 73.03 111.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.414 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 25.1 t -77.4 104.2 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 120.927 0.394 . . . . 74.32 110.633 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -52.28 119.75 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.913 -0.585 . . . . 70.54 110.939 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.18 -24.18 19.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 74.01 112.742 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 44.1 t -81.62 124.33 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 120.856 0.36 . . . . 75.03 110.988 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -68.42 -59.14 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.964 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.82 169.1 13.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.883 -0.599 . . . . 71.54 111.03 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.3 130.02 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.102 -0.499 . . . . 72.14 111.151 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -135.34 127.81 30.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.348 -0.387 . . . . 71.41 111.173 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.91 117.42 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 98.6 t -85.82 158.71 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 70.32 111.237 -179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 11.3 m 67.5 98.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 71.34 111.005 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.1 36.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 64.34 110.857 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.44 164.0 21.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 72.03 111.017 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.219 -0.896 . . . . 73.41 111.111 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.902 0.382 . . . . 75.31 111.183 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t -82.27 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 73.35 111.258 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -112.53 168.42 9.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.99 -0.55 . . . . 74.21 110.633 179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.43 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 79.6 mt -148.67 142.63 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.323 -0.399 . . . . 71.33 111.168 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -112.34 130.09 56.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.07 -0.514 . . . . 71.15 110.605 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.7 t -118.41 112.66 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.911 0.386 . . . . 64.13 111.323 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -89.23 128.7 35.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.054 -0.521 . . . . 72.24 110.526 179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.49 163.74 35.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.392 -0.367 . . . . 73.52 111.309 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.18 153.69 4.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.846 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.3 t0 -65.43 77.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 71.14 111.132 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -153.5 125.91 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 75.44 110.745 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.44 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 30.3 t60 -57.54 -25.15 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 72.33 110.845 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -35.57 61.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 72.34 110.631 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.76 -43.54 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 74.31 110.617 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -62.41 -50.39 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.89 -0.595 . . . . 74.45 110.572 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 p -61.33 -37.04 81.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.844 -0.616 . . . . 64.41 110.496 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.85 -43.19 93.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.611 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 23.8 t -70.3 -34.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 75.21 110.665 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 m -69.26 -35.39 76.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 72.25 110.461 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -62.08 -40.08 94.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.525 . . . . 73.3 110.62 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.83 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.985 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 92.7 mt -64.3 -55.66 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 75.54 110.816 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.09 -32.08 73.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.984 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -29.84 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.929 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -105.09 22.77 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.14 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 56.91 47.16 18.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.874 0.369 . . . . 53.02 110.939 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 29.9 t -97.41 122.59 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 74.14 111.139 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -82.24 123.04 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.02 110.797 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 ' HA ' ' HB3' ' A' ' 48' ' ' PHE . 36.0 mt -96.38 113.52 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.295 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.1 mt -75.13 -29.9 60.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.819 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.27 166.13 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 72.51 110.703 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.6 145.63 5.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 74.05 111.282 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 91.2 p -163.78 136.97 5.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.338 -0.392 . . . . 71.53 111.182 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 11.1 p -131.02 142.56 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.4 111.291 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -136.62 148.23 47.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.853 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.5 p -73.0 110.01 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.926 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -56.69 -66.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 63.51 111.064 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.64 -103.79 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.67 -0.776 . . . . 61.22 112.54 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -100.25 110.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 74.35 111.041 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mmt-85 58.55 38.08 25.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.1 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.31 132.24 45.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 74.23 111.145 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -131.01 116.03 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 74.01 111.211 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.464 HD13 HG21 ' A' ' 43' ' ' ILE . 18.6 mt -89.82 109.88 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.15 -0.477 . . . . 75.33 110.962 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.01 151.51 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.14 111.144 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -143.76 124.82 14.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.926 -0.579 . . . . 72.22 110.205 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -124.9 131.08 53.48 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.937 0.399 . . . . 72.43 111.546 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -106.45 115.79 30.82 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.886 -0.597 . . . . 74.21 110.386 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.45 ' N ' ' CD2' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -150.68 158.92 44.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.219 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.66 163.8 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.901 -0.59 . . . . 65.5 110.749 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.8 mmt -148.74 154.7 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 73.44 111.115 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.07 -42.96 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.819 -0.705 . . . . 74.22 112.388 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.83 143.29 26.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.63 0.252 . . . . 72.15 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.32 -31.52 5.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.579 2.186 . . . . 73.44 112.451 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -62.89 -31.6 72.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.086 -0.506 . . . . 72.32 110.987 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -77.53 -44.38 28.86 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.244 -0.435 . . . . 71.35 110.681 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 tt -71.3 -34.13 70.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 75.0 110.231 179.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.05 -38.57 34.9 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.761 -0.733 . . . . 74.1 111.904 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -75.9 -29.41 58.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.719 0.295 . . . . 71.33 110.889 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 mp -61.46 -49.3 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.938 0.399 . . . . 71.53 110.913 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -58.16 -45.43 87.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 71.12 110.862 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.75 -40.89 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.76 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.67 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 71.12 110.822 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 21.7 t -57.49 -29.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 74.43 110.88 179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.74 -30.27 69.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 71.53 110.723 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.75 -4.4 43.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 74.2 111.514 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.41 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 29.8 t -77.64 104.17 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.898 0.38 . . . . 74.54 110.642 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.51 119.6 5.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.033 -0.53 . . . . 74.1 110.719 179.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.19 -21.72 24.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.777 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 46.8 t -84.81 125.34 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 120.881 0.372 . . . . 72.24 111.08 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.31 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 63.24 111.433 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -163.63 169.21 18.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 73.2 111.247 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.43 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 24.1 t -128.85 134.93 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.942 -0.572 . . . . 73.25 111.264 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.62 138.73 43.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.853 0.358 . . . . 63.23 111.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -69.25 122.99 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.79 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 76' ' ' THR . 77.7 t -85.61 157.86 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 75.21 111.148 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.416 ' N ' ' CG1' ' A' ' 75' ' ' VAL . 11.4 t 47.96 -174.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.823 -0.626 . . . . 75.33 111.415 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.61 152.19 13.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 75.34 110.886 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.77 109.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 51.12 111.153 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.266 -0.873 . . . . 65.1 111.07 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.795 0.331 . . . . 74.32 111.188 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.7 t -82.25 135.28 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.03 0.443 . . . . 74.44 111.336 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -98.69 128.96 45.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.803 -0.635 . . . . 72.13 110.956 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 1.7 mp -125.99 142.61 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 75.25 111.215 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.47 127.46 55.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.929 -0.578 . . . . 65.12 110.375 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.35 112.9 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 120.887 0.375 . . . . 62.13 111.516 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.13 137.31 32.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.13 -0.486 . . . . 75.13 110.634 179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.36 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 75.53 111.248 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 5.5 tp -57.98 143.45 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.908 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.32 101.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.935 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.24 174.44 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 62.53 110.822 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -97.68 -31.02 12.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.875 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.7 -35.47 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.965 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 73.2 mt -60.81 -50.54 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 72.4 110.866 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 tp -57.67 -49.43 76.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 73.21 110.682 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -61.43 -32.72 72.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.928 -0.578 . . . . 63.11 110.502 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -45.76 79.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 73.14 110.553 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.73 -45.23 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.972 -0.558 . . . . 75.1 110.612 179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.438 ' CG2' ' CE1' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -68.64 -40.79 80.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.834 -0.621 . . . . 74.4 110.164 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -35.96 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 75.32 110.719 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.9 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 70.35 110.692 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 19.3 mt -70.8 -32.54 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.797 -0.638 . . . . 75.11 110.621 179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -27.24 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 75.2 111.128 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -56.76 -41.31 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 74.53 110.879 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.51 19.7 11.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 73.12 110.935 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm 53.94 26.2 6.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.308 -0.406 . . . . 75.5 111.125 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.2 t -58.38 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 53.42 110.572 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -64.0 100.6 0.32 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 74.34 111.203 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.44 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -92.53 132.54 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.284 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 47' ' ' THR . 9.0 mt -74.55 -22.42 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 74.53 111.2 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -141.68 138.54 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 64.02 111.242 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -144.64 121.62 11.36 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.953 -0.567 . . . . 74.31 110.529 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.3 m -161.99 134.72 5.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.802 0.334 . . . . 72.05 111.574 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -131.08 129.5 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.248 -0.433 . . . . 74.14 111.234 179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -136.67 154.08 50.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.32 110.937 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -84.99 128.2 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.931 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 2.4 t -69.75 -66.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.892 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.55 -73.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.711 . . . . 71.54 112.429 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -141.06 -68.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.709 0.29 . . . . 74.2 110.891 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.58 37.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.613 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 t -137.33 122.9 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.002 -0.545 . . . . 74.12 111.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.43 114.55 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 61.24 111.001 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 30.6 mt -98.25 116.03 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.286 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 150.48 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.43 110.678 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' B' ' 33' ' ' SER . 8.1 mtt180 -133.53 117.19 16.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.266 -0.425 . . . . 75.41 110.388 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.417 ' CD2' HD11 ' B' ' 29' ' ' ILE . 54.6 m-85 -130.45 125.29 34.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.048 0.451 . . . . 74.55 111.266 -179.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.451 ' O ' ' N ' ' B' ' 30' ' ' LEU . 64.6 m -117.62 115.29 24.79 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.822 -0.626 . . . . 74.41 109.981 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -128.04 171.26 12.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.958 0.408 . . . . 75.24 111.612 -179.328 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.24 165.83 14.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 73.22 110.587 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 5.9 ptm -108.85 148.54 30.45 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.958 0.408 . . . . 70.1 111.302 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.89 -61.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.612 . . . . 74.52 112.392 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -106.51 99.9 27.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.504 0.193 . . . . 63.05 110.874 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.27 -31.43 46.46 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.484 2.123 . . . . 74.11 112.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -36.37 83.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.961 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -77.3 -38.67 50.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.576 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.26 -30.97 63.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 53.33 110.047 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -44.61 22.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.773 -0.727 . . . . 72.44 111.845 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -29.48 60.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.31 . . . . 73.44 110.785 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 8.3 tt -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.407 . . . . 60.14 110.824 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.76 -51.2 71.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 72.13 110.67 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.09 -36.29 81.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 70.35 110.473 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 62.43 110.692 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 21.4 t -55.74 -33.66 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 74.32 110.97 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -62.21 -29.58 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.866 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -82.7 2.26 34.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.653 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.418 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 23.1 t -81.08 104.15 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 120.908 0.385 . . . . 74.32 110.713 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.58 119.75 5.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.542 . . . . 70.54 110.926 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 -24.06 19.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.725 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.418 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 58.8 t -79.99 122.71 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.843 0.354 . . . . 75.03 110.953 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.78 -60.88 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 75.41 110.97 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -166.79 169.16 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 71.54 111.171 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.06 129.62 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.928 -0.578 . . . . 72.14 111.101 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.39 135.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.877 0.37 . . . . 71.41 111.253 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.97 120.27 15.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 73.22 110.972 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 19.4 t -85.74 159.16 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 70.32 111.134 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 11.9 p -143.8 151.7 40.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 71.34 110.915 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 36.8 p -118.1 -179.08 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 64.34 110.991 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.37 132.24 45.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 72.03 111.126 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.21 -0.9 . . . . 73.41 111.094 179.997 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.854 0.359 . . . . 75.31 111.231 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.403 ' CG1' ' CG ' ' A' ' 74' ' ' ARG . 24.2 t -82.17 141.3 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.35 111.229 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -107.8 165.92 11.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.041 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.0 mm -139.87 132.08 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.376 -0.374 . . . . 71.33 111.491 -179.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -109.12 104.79 14.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.987 -0.552 . . . . 71.15 110.506 179.648 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.9 t -102.98 112.83 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.32 -0.4 . . . . 64.13 111.365 -179.689 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -90.02 132.86 35.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.24 110.846 179.804 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.3 166.88 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.371 -0.377 . . . . 73.52 111.201 179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mt -48.44 146.42 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 53.54 111.199 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -64.96 82.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 71.14 111.226 -179.669 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.7 ttm180 -153.54 139.87 18.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 75.44 110.882 179.791 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' HIS . . . . . 0.447 ' ND1' ' CD1' ' B' ' 29' ' ' ILE . 4.6 t60 -71.49 -9.69 58.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.464 -0.334 . . . . 72.33 110.995 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 72.34 110.785 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -62.42 -56.87 14.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 74.31 110.722 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.24 -34.04 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 74.45 110.72 179.916 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.8 p -66.81 -46.61 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.496 179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.8 -41.19 97.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.662 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.2 t -66.6 -41.86 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 75.21 110.77 179.787 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 72.25 110.556 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -60.94 -37.61 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 73.3 110.658 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.84 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 74.43 110.958 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 54.7 mt -65.39 -46.18 81.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 75.54 110.818 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.14 -32.56 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.12 111.096 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.89 -32.76 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.946 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.29 19.46 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.189 179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.92 34.8 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.082 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 23.5 t -82.34 115.36 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 74.14 111.036 179.936 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -74.88 111.58 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.02 110.921 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mt -96.38 125.93 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.044 -179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 67.5 mt -75.11 -35.58 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 72.1 111.078 -179.979 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.3 m -173.22 171.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 72.51 111.032 -179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.453 ' CB ' ' CE1' ' A' ' 46' ' ' PHE . . . -166.19 149.12 7.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 74.05 111.164 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.59 130.4 3.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 71.53 110.975 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.9 m -112.19 147.22 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.354 -0.385 . . . . 74.4 111.413 179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 t -136.53 134.05 37.12 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.941 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 17.2 p -72.09 102.47 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 71.24 111.118 -179.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 t -90.37 141.77 28.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 63.51 110.701 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.42 -103.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 61.22 112.337 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.78 -69.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 74.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.54 35.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 75.1 110.653 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.3 135.68 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 74.23 111.144 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.33 120.15 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.159 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.442 HD11 HG23 ' A' ' 43' ' ' ILE . 25.8 mt -89.9 115.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.111 -0.495 . . . . 75.33 110.809 179.884 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 31.4 t -97.96 136.04 38.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 73.14 111.157 -179.708 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -118.42 141.5 48.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.11 -0.496 . . . . 72.22 110.593 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' PHE . . . . . 0.453 ' CE1' ' CB ' ' A' ' 32' ' ' ALA . 16.6 m-85 -147.86 125.52 11.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.994 0.426 . . . . 72.43 111.156 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -110.94 130.03 55.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.53 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.418 ' CZ ' HD23 ' A' ' 56' ' ' LEU . 1.4 p90 -150.76 169.74 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 74.22 111.165 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -137.31 116.9 12.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.084 -0.507 . . . . 65.5 111.06 179.874 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -149.86 165.83 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.904 179.927 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.92 -32.44 2.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 74.22 112.667 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.42 109.32 1.67 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.596 0.236 . . . . 72.15 110.968 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.05 -33.76 9.2 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.464 2.11 . . . . 73.44 112.376 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -33.38 75.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 72.32 110.897 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -77.44 -44.47 28.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.603 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.418 HD23 ' CZ ' ' A' ' 48' ' ' PHE . 2.1 mp -71.13 -33.52 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.87 -40.3 36.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.707 -0.759 . . . . 74.1 111.84 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -73.44 -32.49 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 71.33 110.773 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.3 tp -62.72 -47.07 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.0 0.429 . . . . 71.53 110.944 179.934 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.56 -48.94 77.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.852 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.684 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.94 92.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 71.12 110.77 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' VAL . . . . . . . . . . . . . 17.3 t -57.92 -30.71 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 74.43 110.874 179.819 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -61.55 -27.23 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.53 110.951 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -86.63 9.05 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 74.2 111.586 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' HB ' ' CG2' ' A' ' 69' ' ' VAL . 21.7 t -85.39 104.21 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.889 0.375 . . . . 74.54 110.858 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -55.27 120.64 7.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 74.1 110.63 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -22.29 23.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 72.24 112.626 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 ' CG2' ' HB ' ' A' ' 66' ' ' VAL . 46.5 t -84.58 125.51 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-O 120.815 0.341 . . . . 72.24 111.122 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -73.4 -56.91 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.256 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -166.76 169.16 13.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.98 -0.554 . . . . 73.2 110.962 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.23 140.78 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.397 -179.878 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -135.4 127.0 28.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.874 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' CG ' ' CG1' ' A' ' 2' ' ' VAL . 5.8 ttm180 -69.13 109.3 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.025 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 31.5 t -89.36 158.58 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.062 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 p -136.44 156.24 48.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 75.33 110.945 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.1 -169.05 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.34 110.86 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.57 123.22 44.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 51.12 111.062 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.214 -0.898 . . . . 65.1 111.163 179.907 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.879 0.371 . . . . 74.32 111.181 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.34 136.53 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 74.44 111.259 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -105.51 156.54 18.12 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.066 -0.515 . . . . 72.13 111.006 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 58.0 mt -146.49 144.88 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.366 -0.379 . . . . 75.25 111.481 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.93 122.5 42.4 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.106 -0.497 . . . . 65.12 110.617 179.746 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.48 112.79 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.273 -0.421 . . . . 62.13 111.589 -179.464 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -90.48 130.17 36.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.587 179.659 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . 0.412 ' CB ' ' HA ' ' B' ' 69' ' ' VAL . . . -159.31 161.1 35.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 75.53 111.225 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.11 144.13 24.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.774 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -73.71 76.06 1.55 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 73.03 111.433 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 13.6 mmt180 -126.21 140.23 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 62.53 110.626 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -53.8 -50.5 65.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 73.15 111.447 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -37.32 81.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 73.14 111.175 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.15 -39.66 79.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 72.4 111.045 -179.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.77 -52.48 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.458 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.3 m -61.24 -32.48 72.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.837 -0.62 . . . . 63.11 110.295 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.14 -45.06 86.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 73.14 110.626 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 42.1 t -65.18 -47.02 89.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 75.1 110.63 179.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.29 -36.02 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.863 -0.608 . . . . 74.4 110.185 179.485 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -68.59 -39.66 80.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 75.32 110.631 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.14 95.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 70.35 110.655 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 93.7 mt -73.65 -31.49 63.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.813 -0.63 . . . . 75.11 110.602 179.662 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.78 -22.8 49.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 75.2 111.25 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.48 -34.47 49.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.386 -0.37 . . . . 74.53 111.017 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -109.3 19.78 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.029 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmpm? 54.02 27.56 7.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.387 -0.37 . . . . 75.5 111.218 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.38 92.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 53.42 110.729 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.96 100.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 74.34 110.882 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' ILE . . . . . 0.447 ' CD1' ' ND1' ' A' ' 12' ' ' HIS . 4.7 mt -84.63 136.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 75.34 110.22 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' B' ' 47' ' ' THR . 8.7 mt -74.4 -25.25 59.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 74.53 110.56 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.1 OUTLIER -151.0 135.19 16.8 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.16 -0.473 . . . . 64.02 110.51 179.254 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -133.73 126.73 31.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.578 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.2 m -161.82 141.57 10.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.977 0.417 . . . . 72.05 111.698 -179.776 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -131.09 134.57 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.028 -0.533 . . . . 74.14 111.045 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.3 m -136.58 154.01 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.009 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 7.5 t -58.39 137.38 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.898 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.4 t -94.01 -29.5 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.022 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 169.35 -116.59 0.66 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.529 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.33 106.6 18.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 74.2 110.949 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.8 ttm105 56.7 38.25 29.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 65.54 110.991 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 2.7 m -137.27 145.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 74.12 111.122 179.836 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.3 130.24 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.408 . . . . 61.24 111.049 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 1.6 tp -111.46 130.36 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.263 -179.937 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -97.94 158.16 15.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.53 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 33' ' ' SER . 2.4 ttt-85 -138.93 117.71 12.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.289 -0.414 . . . . 75.41 110.342 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.422 ' CD2' HD13 ' B' ' 29' ' ' ILE . 88.8 m-85 -125.7 125.21 42.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.252 -0.431 . . . . 74.55 111.569 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' THR . . . . . 0.444 ' O ' ' N ' ' B' ' 30' ' ' LEU . 48.4 m -112.18 115.06 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.866 -0.606 . . . . 74.41 109.553 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -138.0 171.42 14.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 75.24 111.583 -179.008 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 67.2 mm-40 -88.16 165.39 15.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.696 -0.684 . . . . 73.22 110.737 -179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.07 158.25 17.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.31 -0.404 . . . . 70.1 111.191 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.21 -57.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.839 -0.696 . . . . 74.52 112.547 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.38 100.95 32.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.63 0.253 . . . . 63.05 110.966 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.59 -33.81 60.23 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.503 2.135 . . . . 74.11 112.369 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.23 -38.26 89.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 73.14 110.972 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -77.58 -42.19 36.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 74.11 110.717 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -71.46 -32.91 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.17 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.11 -39.58 26.96 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 72.44 111.879 179.411 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -26.65 52.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.689 0.281 . . . . 73.44 110.889 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 59' ' ' LEU . . . . . . . . . . . . . 19.2 tp -62.28 -46.41 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.419 . . . . 60.14 110.997 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.66 -50.76 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.88 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.79 -36.49 81.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 70.35 110.536 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.48 96.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.729 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 63' ' ' VAL . . . . . . . . . . . . . 22.4 t -56.5 -30.8 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 74.32 111.003 179.725 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -30.88 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.12 110.777 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -76.12 -5.2 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.467 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 66' ' ' VAL . . . . . 0.423 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 35.2 t -75.44 104.13 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.858 0.361 . . . . 74.32 110.601 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.87 119.52 4.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 70.54 110.866 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.83 20.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 74.01 112.768 -179.917 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.423 ' CG2' ' HB ' ' B' ' 66' ' ' VAL . 65.3 t -80.42 118.8 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.882 0.373 . . . . 75.03 111.05 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.15 -51.07 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 75.41 111.179 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.7 169.15 13.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.23 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 72' ' ' VAL . . . . . 0.408 ' CG1' ' CG2' ' B' ' 4' ' ' ILE . 21.5 t -131.43 136.42 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.047 -0.524 . . . . 72.14 110.961 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.57 138.06 42.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.871 0.367 . . . . 71.41 111.565 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -71.85 117.91 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 73.22 110.565 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 48.7 t -93.34 160.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.027 0.441 . . . . 70.32 111.396 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 76' ' ' THR . . . . . . . . . . . . . 1.7 p 64.01 118.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 71.34 110.898 -179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.7 p -113.27 -36.39 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.943 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.04 75.29 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.03 111.141 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.275 -0.869 . . . . 73.41 111.083 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.877 0.37 . . . . 2.43 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.05 146.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.72 111.221 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -113.22 170.93 7.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.186 -0.461 . . . . 0.57 111.016 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.635 HD11 ' CE2' ' A' ' 48' ' ' PHE . 29.2 mt -136.83 134.07 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.99 111.462 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.433 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.4 mt-30 -108.03 104.55 14.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.093 -0.503 . . . . 1.32 110.435 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 72' ' ' VAL . 20.6 t -103.17 112.66 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.255 -0.43 . . . . 0.38 111.568 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.515 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.5 tt0 -90.3 127.94 36.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.124 -0.489 . . . . 2.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.846 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.36 165.21 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.898 0.38 . . . . 0.42 111.355 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.726 ' O ' HD12 ' A' ' 14' ' ' LEU . 57.4 mt -54.16 148.18 11.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 1.81 110.949 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -65.06 84.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 2.15 111.278 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -153.71 124.4 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 2.88 110.682 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CG ' HD12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -58.27 -30.37 66.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.793 0.33 . . . . 1.62 110.645 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -38.56 64.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 3.18 110.819 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.846 HD13 ' HB1' ' A' ' 8' ' ' ALA . 75.4 mt -64.87 -43.73 92.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.694 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.7 mm? -62.5 -46.1 89.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 1.78 110.602 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 t -61.84 -40.78 96.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 1.19 110.424 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.79 -43.48 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 1.75 110.583 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 14' ' ' LEU . 34.4 t -66.23 -40.01 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.016 -0.538 . . . . 0.54 110.837 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.748 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.9 m -65.6 -36.88 85.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.5 110.424 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.98 -41.4 96.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 3.06 110.54 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.52 87.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 0.55 110.816 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 19' ' ' THR . 17.0 mt -65.65 -49.73 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.971 -0.559 . . . . 0.64 110.773 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.05 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.58 111.068 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -59.62 -31.05 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 1.62 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 23.74 13.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 2.57 111.118 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mttt 56.73 32.44 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.386 -0.37 . . . . 3.45 111.021 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -80.94 97.55 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.74 111.117 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.21 113.5 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 2.25 110.907 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.49 128.77 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.75 111.131 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.64 -34.03 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.85 110.957 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -173.02 169.44 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.22 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.09 151.73 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.41 111.227 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -163.72 132.82 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 1.47 110.776 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG23 ' C ' ' A' ' 43' ' ' ILE . 9.8 p -123.27 140.78 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.326 -0.397 . . . . 1.18 111.424 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -136.75 151.49 49.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.029 -0.532 . . . . 1.49 110.769 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -74.13 108.94 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 1.53 111.055 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.778 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -59.14 -56.32 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 1.41 110.876 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -129.73 -87.7 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.833 -0.698 . . . . 1.34 112.406 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.73 -76.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 2.69 110.73 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -96.81 33.35 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.06 0.457 . . . . 4.06 110.417 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.1 m -137.96 125.86 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 1.33 111.16 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.91 125.91 44.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.48 111.305 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.778 HD11 ' OG ' ' A' ' 37' ' ' SER . 8.1 mt -89.64 111.12 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.72 110.815 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -97.85 129.81 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.22 111.233 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.25 142.16 43.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.061 -0.518 . . . . 3.33 110.61 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.59 125.45 17.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.923 0.392 . . . . 2.08 111.365 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -110.43 116.28 31.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.971 -0.559 . . . . 0.82 110.583 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -151.1 146.84 26.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 1.52 111.166 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.74 145.44 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 2.47 110.806 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.437 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 1.1 mmt -150.06 161.46 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 4.78 111.088 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.76 -41.54 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 1.2 112.453 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.76 133.15 40.28 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.543 0.211 . . . . 1.99 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -78.04 -27.9 5.33 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.53 2.153 . . . . 1.21 112.46 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -60.02 -37.38 79.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 3.3 110.971 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -44.53 37.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 2.88 110.558 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -67.42 -31.99 72.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 1.89 110.059 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.82 -43.8 33.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.773 -0.727 . . . . 0.78 111.851 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -31.03 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.727 0.299 . . . . 2.6 110.954 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -61.34 -47.8 84.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.943 0.401 . . . . 1.62 111.019 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -58.33 -48.2 81.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.988 -0.551 . . . . 1.32 110.924 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.49 -38.59 87.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 1.97 110.733 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.9 97.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.63 110.82 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 12.1 t -57.72 -29.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.51 110.853 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -60.76 -29.77 69.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 2.91 110.776 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.17 -1.57 40.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 1.37 111.519 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.5 t -77.87 103.49 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.811 0.338 . . . . 0.54 110.869 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -52.56 120.12 5.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 2.43 110.661 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.18 24.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.47 112.563 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.9 t -87.37 124.25 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.43 111.073 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -54.82 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.39 111.165 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -166.82 169.3 13.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.03 -0.532 . . . . 1.97 111.041 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.428 HG22 HG13 ' A' ' 6' ' ' VAL . 25.3 t -126.54 139.54 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.48 111.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -135.77 124.59 23.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.9 111.048 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -63.54 113.7 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 3.09 110.821 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.72 111.262 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.81 111.242 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.602 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -98.68 167.88 10.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.51 111.074 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.493 HD11 ' HE1' ' B' ' 48' ' ' PHE . 34.3 mt -142.23 131.96 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.349 -0.387 . . . . 1.22 111.452 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -107.15 113.39 26.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.116 -0.493 . . . . 1.33 110.708 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.43 112.85 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.35 111.399 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.608 ' O ' HG13 ' B' ' 69' ' ' VAL . 5.6 tt0 -94.09 135.2 35.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.94 110.801 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.517 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -159.37 161.68 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.49 111.201 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.24 142.14 44.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.99 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.505 ' HA ' ' HB2' ' B' ' 42' ' ' ALA . 33.2 t0 -65.63 90.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 2.09 111.067 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -136.14 171.09 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.09 110.801 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.42 -12.57 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 2.34 111.333 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -100.5 -33.71 10.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 3.64 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.669 HD21 ' O ' ' B' ' 67' ' ' GLU . 12.6 mt -58.41 -40.72 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.39 110.958 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.833 HD11 HG11 ' B' ' 34' ' ' VAL . 0.2 OUTLIER -60.17 -56.96 15.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.06 -0.518 . . . . 1.96 110.316 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -58.85 -28.78 66.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 1.39 110.204 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -48.11 74.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.56 110.327 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 14' ' ' LEU . 47.2 t -65.41 -44.09 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.544 . . . . 0.46 110.413 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.521 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.88 -37.38 84.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.74 110.098 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -44.97 59.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.765 -0.652 . . . . 2.82 110.853 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.03 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.59 110.74 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.553 HD12 ' HE2' ' B' ' 46' ' ' PHE . 40.8 mt -78.64 -32.7 47.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.782 -0.644 . . . . 0.6 110.551 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.36 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.75 111.063 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.86 -28.3 9.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 2.02 111.035 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.04 16.34 22.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 2.25 111.185 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 mttt 50.95 30.33 5.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.464 -0.334 . . . . 2.75 111.264 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.93 97.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.54 110.747 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.72 110.58 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 2.07 110.834 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.626 HG22 ' H ' ' B' ' 31' ' ' SER . 17.4 mt -96.38 136.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.619 . . . . 0.47 110.65 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 47' ' ' THR . 94.2 mt -74.23 -22.29 59.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.75 111.037 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.626 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -163.04 130.83 3.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.056 0.455 . . . . 1.23 111.115 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.4 126.84 41.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.955 -0.566 . . . . 0.4 110.508 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.3 p -156.75 141.18 16.67 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 1.2 111.606 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.833 HG11 HD11 ' B' ' 15' ' ' LEU . 10.5 p -131.37 134.61 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.67 111.142 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.8 p -136.76 143.83 43.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.123 -0.489 . . . . 1.56 110.967 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.5 p -76.39 128.16 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.44 110.964 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.444 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -70.38 -67.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.69 110.898 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -70.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.821 -0.704 . . . . 1.42 112.442 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -68.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 2.22 110.809 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -97.04 37.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 3.9 110.578 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 122.5 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.0 -0.546 . . . . 1.61 111.282 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' B' ' 10' ' ' ASP . . . -113.77 115.84 28.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.7 110.968 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.444 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.8 mt -102.87 113.93 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.156 -0.474 . . . . 1.71 111.366 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 25.0 m -97.9 154.44 17.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.09 110.527 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.96 116.69 10.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.791 0.329 . . . . 2.84 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.553 ' HE2' HD12 ' B' ' 22' ' ' LEU . 15.9 m-30 -116.2 124.78 51.11 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.004 -0.543 . . . . 1.35 111.085 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' LEU . 61.8 m -111.56 117.59 33.41 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.016 -0.538 . . . . 0.6 109.913 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.493 ' HE1' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -146.35 171.95 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 1.68 111.448 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -87.59 162.69 17.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.901 -0.591 . . . . 2.25 110.757 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.466 ' CG ' HD13 ' B' ' 56' ' ' LEU . 0.0 OUTLIER -108.99 163.15 13.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.956 0.408 . . . . 5.07 111.261 -179.615 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.56 -64.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.929 -0.653 . . . . 1.45 112.219 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.48 128.8 25.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.57 0.224 . . . . 2.06 110.701 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -29.29 17.1 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.418 2.078 . . . . 1.45 112.404 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -64.92 -37.07 86.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 3.25 110.929 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -76.45 -44.52 35.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 2.3 110.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' B' ' 50' ' ' MET . 6.6 tt -67.03 -32.08 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.74 110.081 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.51 27.01 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.746 -0.74 . . . . 0.78 111.866 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.27 -26.59 62.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.716 0.293 . . . . 2.38 110.811 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.779 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.4 OUTLIER -60.84 -54.04 49.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 1.76 110.888 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -47.9 80.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.786 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -35.56 79.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 1.74 110.663 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.08 -45.0 82.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.59 110.785 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.779 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.5 t -57.1 -30.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.46 111.005 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -61.61 -29.99 70.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 2.45 110.74 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -81.08 0.26 36.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.35 111.569 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' B' ' 63' ' ' VAL . 22.0 t -82.2 103.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.5 110.78 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.669 ' O ' HD21 ' B' ' 14' ' ' LEU . 14.4 mt-10 -53.7 119.77 5.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.059 -0.518 . . . . 2.66 110.985 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.29 -24.3 18.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.49 112.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.608 HG13 ' O ' ' B' ' 7' ' ' GLU . 46.5 t -80.44 124.91 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.82 110.983 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 2.7 111.012 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.87 169.24 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 1.56 111.114 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.528 ' CG2' HG11 ' B' ' 63' ' ' VAL . 22.0 t -123.74 136.73 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.38 111.131 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.44 124.81 24.78 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.288 -0.415 . . . . 1.79 111.252 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.1 112.85 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 3.18 110.783 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.3 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.68 111.238 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.882 0.372 . . . . 75.31 111.178 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.1 143.5 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.091 -0.504 . . . . 64.2 111.243 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.433 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -100.62 159.54 15.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.453 HD11 ' CE2' ' A' ' 48' ' ' PHE . 25.2 mt -137.34 134.44 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 120.973 0.416 . . . . 71.33 111.666 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.466 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.2 mt-30 -106.9 105.37 15.37 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.975 -0.557 . . . . 71.15 110.332 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.6 112.87 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.902 0.382 . . . . 64.13 111.553 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -93.23 124.18 37.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.056 -0.52 . . . . 72.24 110.568 179.501 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.746 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.32 161.75 35.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 73.52 111.182 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 40' ' ' ARG . 10.8 mt -49.85 145.19 5.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 53.54 111.011 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.593 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 15.0 p-10 -60.38 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.14 111.133 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -152.91 121.51 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.23 110.624 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.549 ' CG ' HD12 ' B' ' 29' ' ' ILE . 1.5 t60 -58.57 -30.77 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.692 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -53.5 -37.46 62.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 71.35 110.831 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.9 mt -65.69 -42.23 91.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 72.12 110.627 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.66 -52.43 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.553 . . . . 73.23 110.61 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -60.99 -35.43 76.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.624 . . . . 64.41 110.499 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -42.6 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 74.11 110.533 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 14' ' ' LEU . 26.3 t -67.72 -38.47 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 63.45 110.817 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.462 HG21 HD22 ' B' ' 15' ' ' LEU . 11.4 m -67.28 -37.33 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 72.25 110.487 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -62.56 -40.54 97.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 73.3 110.718 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.2 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 74.43 110.823 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 27' ' ' VAL . 85.6 mt -66.6 -56.18 11.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 75.54 110.799 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.09 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.028 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.29 -29.91 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.865 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -103.7 22.86 13.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.994 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp 62.68 38.66 11.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 53.02 110.969 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 22' ' ' LEU . 29.8 t -94.66 121.85 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 63.02 111.003 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.35 117.45 29.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.027 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.9 129.05 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.031 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -75.09 -41.49 58.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.051 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -173.37 171.65 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 72.51 111.04 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.92 158.14 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 42.04 111.199 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 t -163.71 124.69 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.39 . . . . 71.53 110.929 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.1 p -121.08 139.09 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.293 -0.412 . . . . 74.4 111.375 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.5 m -136.66 137.52 40.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.05 -0.523 . . . . 73.22 110.86 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 111.85 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 71.24 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.636 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.8 t -60.67 -66.91 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 63.51 110.882 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -89.05 1.46 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.761 -0.733 . . . . 40.34 112.382 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.47 -72.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.35 110.789 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -97.27 35.5 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.039 0.447 . . . . 74.31 110.517 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.4 121.82 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 74.23 111.235 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.593 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -120.17 116.8 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.183 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.636 HD11 ' OG ' ' A' ' 37' ' ' SER . 14.5 mt -89.85 111.82 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.133 -0.485 . . . . 70.43 110.964 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.04 132.03 43.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.14 111.095 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD2' HG11 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -116.47 117.26 29.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.178 -0.465 . . . . 43.44 110.428 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -109.02 159.36 16.9 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.954 0.407 . . . . 64.33 111.43 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.7 m -145.6 115.27 7.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.799 -0.637 . . . . 74.21 110.308 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.1 p90 -150.78 171.16 17.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.336 -0.393 . . . . 74.22 111.218 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -88.53 149.72 23.47 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.07 -0.514 . . . . 64.54 110.701 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.509 ' SD ' HD22 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -109.15 160.48 16.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.888 0.375 . . . . 73.44 111.26 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.86 -78.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.946 -0.645 . . . . 74.22 112.286 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 141.91 23.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.622 0.249 . . . . 72.15 110.754 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -74.33 -19.15 19.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 73.44 112.684 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -41.96 87.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 72.32 111.19 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 56' ' ' LEU . 8.3 p80 -77.44 -38.17 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.733 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.509 HD22 ' SD ' ' A' ' 50' ' ' MET . 6.2 tp -74.84 -32.98 62.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 75.0 110.084 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.75 -41.52 34.19 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.805 -0.712 . . . . 74.1 111.765 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -75.87 -32.71 59.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.821 0.343 . . . . 71.33 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.891 ' O ' HG23 ' A' ' 63' ' ' VAL . 14.1 mt -63.25 -48.01 80.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.53 110.933 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -57.21 -48.52 78.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 71.12 110.822 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -61.12 -40.93 95.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.634 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.18 95.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 71.12 110.873 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 59' ' ' LEU . 13.8 t -58.45 -29.86 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.898 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -62.18 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.05 110.842 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -85.69 6.58 27.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.288 -0.415 . . . . 74.2 111.568 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.6 t -81.55 104.15 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 120.858 0.361 . . . . 74.54 110.797 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.18 120.07 5.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 74.1 110.675 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.15 -21.77 24.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 72.24 112.652 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 8' ' ' ALA . 25.2 t -87.52 124.7 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.789 0.328 . . . . 72.24 111.215 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -54.88 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 63.24 111.256 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -166.74 169.2 13.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.083 -0.508 . . . . 73.2 111.072 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.667 HG21 HG11 ' A' ' 63' ' ' VAL . 21.8 t -131.42 135.89 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.157 -0.474 . . . . 73.25 111.339 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 135.17 40.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.332 -0.395 . . . . 63.23 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -67.02 114.26 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.24 110.901 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.466 HG21 ' HG3' ' A' ' 5' ' ' GLN . 5.9 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.863 0.363 . . . . 71.32 111.344 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -102.84 156.9 17.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.129 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' B' ' 48' ' ' PHE . 17.3 mt -134.11 132.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.399 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.412 ' HG3' HG21 ' B' ' 75' ' ' VAL . 1.1 mt-30 -107.62 106.5 16.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.085 -0.507 . . . . 65.12 110.547 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.55 112.91 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 120.906 0.384 . . . . 54.42 111.605 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -97.44 137.66 36.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.063 -0.517 . . . . 75.13 110.594 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.36 161.82 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.917 0.389 . . . . 75.53 111.334 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' B' ' 11' ' ' ARG . 3.9 pp -62.21 149.75 40.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 73.32 110.886 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.66 110.99 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.03 111.069 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.437 ' HB2' HD12 ' B' ' 9' ' ' LEU . 1.0 OUTLIER -153.43 132.56 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 62.53 110.81 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -55.74 -29.77 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.15 111.172 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -89.72 -19.8 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.19 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.599 HD21 ' HA3' ' B' ' 68' ' ' GLY . 0.0 OUTLIER -57.75 -42.54 84.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.385 . . . . 70.11 110.984 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.772 HD11 HG11 ' B' ' 34' ' ' VAL . 0.9 OUTLIER -59.27 -56.92 15.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 73.21 110.457 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.4 m -57.84 -30.46 65.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.738 -0.664 . . . . 63.11 110.368 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 73.14 110.47 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 14' ' ' LEU . 40.5 t -66.66 -40.4 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.53 HG22 ' HE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.27 -37.26 77.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 41.42 110.223 179.461 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.47 -40.49 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 75.32 110.652 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.78 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 70.35 110.762 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.524 HD23 HD11 ' B' ' 59' ' ' LEU . 83.1 mt -75.07 -33.15 61.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 75.11 110.643 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.33 -23.32 60.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.998 -0.547 . . . . 75.2 111.277 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -49.63 -28.15 5.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.428 -0.351 . . . . 74.53 111.195 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 21.93 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 73.12 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 51.29 32.11 7.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 75.5 111.156 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.403 ' O ' HG13 ' B' ' 29' ' ' ILE . 30.6 t -58.68 100.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 53.34 110.855 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.44 107.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.34 110.845 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.549 HD12 ' CG ' ' A' ' 12' ' ' HIS . 8.5 mt -96.36 128.08 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 75.34 110.633 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 47' ' ' THR . 23.3 mt -74.66 -30.82 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.413 . . . . 74.53 110.411 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -136.03 131.27 34.73 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.098 -0.501 . . . . 64.02 110.933 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.31 122.16 19.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.482 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.9 t -157.02 133.06 9.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.931 0.396 . . . . 63.14 111.537 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.772 HG11 HD11 ' B' ' 15' ' ' LEU . 8.1 p -131.19 130.0 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.017 -0.538 . . . . 72.43 111.214 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -136.66 154.07 50.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.104 -0.498 . . . . 74.23 110.842 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.9 p -92.77 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.931 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -97.47 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.804 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.21 -120.71 1.41 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.857 -0.687 . . . . 71.54 112.444 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.69 -70.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 74.2 110.778 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -97.53 36.61 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 65.54 110.519 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -137.33 113.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.926 -0.579 . . . . 72.23 111.403 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.52 145.28 40.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 44.34 110.949 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mt -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 116.255 -0.43 . . . . 62.24 111.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 12.5 m -116.5 149.22 39.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.749 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -134.82 117.32 15.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.513 ' CD1' HD13 ' B' ' 29' ' ' ILE . 60.5 m-85 -124.23 125.31 44.19 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.973 0.416 . . . . 74.55 111.502 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.0 m -112.98 127.62 56.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.905 -0.589 . . . . 74.41 109.9 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' B' ' 4' ' ' ILE . 1.9 p90 -144.81 151.12 38.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 75.24 111.499 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -103.24 117.35 34.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.873 -0.603 . . . . 73.22 110.858 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mtt -149.94 154.45 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 70.1 111.103 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.73 -28.11 4.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 74.52 112.445 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.658 ' O ' HD12 ' B' ' 56' ' ' LEU . 1.0 OUTLIER -73.92 110.92 10.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.563 0.221 . . . . 63.05 110.845 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.23 -27.04 35.32 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.082 . . . . 52.15 112.393 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -33.29 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -77.47 -44.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.648 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.658 HD12 ' O ' ' B' ' 52' ' ' ASP . 4.5 mp -69.93 -32.07 70.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 53.33 110.145 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.15 -42.46 28.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.714 -0.755 . . . . 72.44 111.891 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -72.48 -29.91 64.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 73.3 110.853 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 63' ' ' VAL . 18.9 tp -62.21 -46.57 88.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.309 -0.405 . . . . 60.14 110.925 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.77 -50.25 74.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 72.13 110.768 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.86 -37.63 82.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 52.41 110.634 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.18 98.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 62.43 110.667 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 59' ' ' LEU . 19.4 t -56.13 -30.77 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 53.41 111.005 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -60.21 -31.86 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.72 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.67 -6.52 52.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.444 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' B' ' 63' ' ' VAL . 21.6 t -77.39 104.18 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.889 0.376 . . . . 74.32 110.724 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.79 120.2 5.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 70.54 110.936 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.599 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.16 -24.08 19.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 74.01 112.752 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 63' ' ' VAL . 99.4 t -78.12 115.13 19.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.886 0.374 . . . . 75.03 110.956 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -52.34 26.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.041 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 71.54 111.156 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.454 HG21 HG11 ' B' ' 63' ' ' VAL . 21.3 t -131.02 139.82 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.962 -0.563 . . . . 72.14 111.079 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -135.44 123.52 22.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.385 -0.37 . . . . 71.41 111.211 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -64.84 113.73 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.666 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 23.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.32 111.238 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 75.31 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.25 145.48 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 64.2 111.239 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.616 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.77 165.09 11.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.928 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.626 HD11 ' CE2' ' A' ' 48' ' ' PHE . 34.2 mt -140.78 139.84 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.277 -0.42 . . . . 71.33 111.333 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -109.39 104.68 13.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.776 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 72' ' ' VAL . 22.0 t -103.27 112.73 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.205 -0.452 . . . . 64.13 111.265 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.4 mt-10 -92.71 129.96 38.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.49 . . . . 72.24 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.658 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.48 164.46 34.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 73.52 111.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 14' ' ' LEU . 45.6 mt -52.12 144.5 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 53.54 111.055 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.549 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 1.5 t70 -64.09 80.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.144 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -153.51 124.93 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.738 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.907 ' ND1' HD12 ' B' ' 29' ' ' ILE . 70.0 t60 -58.58 -27.62 64.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 72.33 110.827 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -40.58 72.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.983 0.42 . . . . 71.35 110.719 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.886 ' O ' HG23 ' A' ' 18' ' ' VAL . 50.3 mt -63.59 -41.32 98.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 72.12 110.643 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 12' ' ' HIS . 3.7 mm? -61.6 -49.45 76.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.561 . . . . 73.23 110.62 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -60.78 -40.96 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 64.41 110.532 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.4 -41.64 98.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 74.11 110.667 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 14' ' ' LEU . 32.6 t -67.84 -37.13 77.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 63.45 110.853 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -67.21 -38.5 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 72.25 110.546 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.53 -39.22 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 73.3 110.719 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.82 84.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.913 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.853 HD23 HD11 ' A' ' 59' ' ' LEU . 65.3 mt -65.82 -54.69 23.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 75.54 110.844 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.23 73.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.12 111.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.51 -30.72 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.867 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.03 22.56 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.53 111.15 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt 59.81 45.29 12.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 53.02 110.996 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.6 t -104.05 85.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.069 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -64.18 120.6 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -96.35 128.05 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.061 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -75.04 -31.01 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.956 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.32 168.07 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.01 151.51 5.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 42.04 111.32 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 10.9 t -163.65 132.04 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.91 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.0 p -123.34 141.62 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.556 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 t -136.52 154.06 50.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.032 -0.531 . . . . 73.22 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -63.51 113.3 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.24 111.045 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.587 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.2 t -66.93 -38.52 86.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 63.51 111.045 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 173.93 -104.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.68 -0.771 . . . . 40.34 112.647 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.48 ' O ' HG22 ' A' ' 41' ' ' VAL . 10.2 p-10 -98.69 110.07 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 74.35 111.099 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 53.5 36.1 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.05 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.566 HG23 ' N ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -137.47 142.15 37.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 74.23 110.972 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -135.07 121.78 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.01 111.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.587 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.9 mt -89.82 107.83 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 70.43 110.808 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 133.49 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 73.14 111.22 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -112.24 133.31 54.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.071 -0.513 . . . . 43.44 110.592 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -123.64 125.58 45.06 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.332 -0.395 . . . . 64.33 111.247 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -114.42 120.45 40.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.958 -0.565 . . . . 74.21 110.511 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.4 p90 -150.7 171.14 17.63 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.098 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.53 165.78 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 64.54 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.4 ' CE ' ' CD2' ' A' ' 56' ' ' LEU . 2.0 mtp -109.07 162.32 14.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.211 -0.449 . . . . 73.44 111.097 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.37 -63.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.844 -0.693 . . . . 74.22 112.414 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -106.32 101.05 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.605 0.241 . . . . 72.15 110.98 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 59.7 Cg_exo -51.63 -33.83 50.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.096 . . . . 73.44 112.364 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -67.68 -30.34 69.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 72.32 111.05 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -77.24 -44.32 30.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.624 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 57' ' ' GLY . 4.6 pp -72.32 -29.26 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 75.0 110.044 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.591 ' N ' HD12 ' A' ' 56' ' ' LEU . . . -73.63 -46.6 24.08 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.832 -0.699 . . . . 74.1 111.835 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -71.93 -32.78 67.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.815 0.341 . . . . 71.33 110.634 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 63' ' ' VAL . 29.5 tp -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.53 110.755 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -60.01 -48.28 82.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 71.12 110.795 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -60.95 -40.96 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.632 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.25 99.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 71.12 110.892 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 59' ' ' LEU . 37.5 t -58.23 -29.46 37.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 74.43 110.904 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -27.87 69.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 71.05 110.73 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.39 -1.51 41.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.528 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 63' ' ' VAL . 27.6 t -73.97 104.17 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 120.914 0.387 . . . . 74.54 110.636 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.86 119.93 4.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.087 -0.506 . . . . 74.1 110.735 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -22.65 22.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.24 112.559 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.6 t -87.18 126.88 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.825 0.345 . . . . 72.24 111.143 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.7 -54.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.246 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -166.75 168.97 13.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 73.2 111.097 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.615 HG21 ' CG1' ' A' ' 63' ' ' VAL . 35.7 t -131.19 129.23 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.121 -0.49 . . . . 73.25 111.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -135.55 131.0 35.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.417 -0.356 . . . . 63.23 111.334 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -62.95 126.16 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 75.24 110.729 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.616 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 27.7 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 75.21 111.205 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.81 0.338 . . . . 71.32 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -104.15 153.95 20.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.126 -0.488 . . . . 72.13 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.736 HD11 ' CD2' ' B' ' 56' ' ' LEU . 48.7 mt -139.69 133.41 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.162 -0.472 . . . . 75.25 111.007 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.45 ' HB2' HG23 ' B' ' 75' ' ' VAL . 2.8 mt-30 -107.87 127.46 53.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.156 -0.475 . . . . 65.12 110.9 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -111.55 112.9 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.214 -0.448 . . . . 54.42 111.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.62 139.91 31.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.45 160.62 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 75.53 111.235 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.1 153.76 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.871 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -62.47 113.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.03 111.072 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.658 ' HB2' HD12 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -150.32 176.82 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.53 110.942 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -111.16 -32.73 6.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 73.15 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -27.16 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 73.14 111.028 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' B' ' 11' ' ' ARG . 20.5 mt -54.01 -39.08 65.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 70.11 111.027 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.5 -53.68 55.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.337 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.32 -34.42 72.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 63.11 110.259 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.55 -45.06 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 73.14 110.488 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 14' ' ' LEU . 38.7 t -65.65 -42.5 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 75.1 110.596 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.666 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.0 -38.21 90.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 41.42 110.393 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -42.83 85.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 75.32 110.78 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.25 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 70.35 110.836 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.565 HD13 HD11 ' B' ' 29' ' ' ILE . 6.6 mt -72.97 -30.79 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.715 -0.675 . . . . 75.11 110.538 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.92 62.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.985 -0.552 . . . . 75.2 111.184 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -33.98 55.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.342 -0.39 . . . . 74.53 110.826 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.48 18.47 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 73.12 110.992 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.91 28.62 2.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 75.5 111.17 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.13 93.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 53.34 110.591 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.81 100.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.34 110.682 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.907 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.1 mt -84.48 130.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 75.34 110.426 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' B' ' 47' ' ' THR . 16.8 mt -74.53 -30.47 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.858 0.361 . . . . 74.53 110.27 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m -134.4 131.36 38.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.028 -0.533 . . . . 64.02 110.919 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.76 121.47 20.78 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.005 -0.543 . . . . 74.31 110.31 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 45' ' ' ARG . 37.0 p -158.66 130.17 6.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.767 -0.373 . . . . 63.14 111.706 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.559 ' O ' HG13 ' B' ' 34' ' ' VAL . 7.7 p -131.08 108.52 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.141 -0.481 . . . . 72.43 111.143 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.96 154.13 26.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.082 -0.508 . . . . 74.23 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.33 124.5 36.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.444 ' OG ' HG13 ' B' ' 41' ' ' VAL . 4.0 p -102.04 167.79 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.838 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 46.08 -95.14 0.01 OUTLIER Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.943 -0.646 . . . . 71.54 112.747 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.98 -67.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 74.2 110.897 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -98.45 35.98 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 65.54 110.833 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.444 HG13 ' OG ' ' B' ' 37' ' ' SER . 12.6 p -137.34 136.79 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.015 -0.538 . . . . 72.23 111.304 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.442 ' O ' HD13 ' B' ' 43' ' ' ILE . . . -115.57 149.62 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 44.34 111.026 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.442 HD13 ' O ' ' B' ' 42' ' ' ALA . 19.0 mm -130.12 123.32 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.253 -0.431 . . . . 62.24 111.491 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.07 147.61 29.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 61.43 110.456 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' B' ' 33' ' ' SER . 10.6 ttm-85 -134.97 117.26 15.6 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.344 -0.389 . . . . 75.41 110.355 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' B' ' 29' ' ' ILE . 78.6 m-85 -126.11 125.22 42.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.079 0.466 . . . . 74.55 111.434 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' LEU . 25.5 m -113.28 119.38 37.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.754 -0.657 . . . . 74.41 109.752 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -137.78 146.84 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 75.24 111.504 -179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.423 ' HB2' HD11 ' B' ' 30' ' ' LEU . 2.3 tt0 -88.78 114.52 25.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.95 -0.568 . . . . 73.22 110.843 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 92.3 mtp -149.85 159.64 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 70.1 111.029 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.01 -44.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 74.52 112.449 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.88 109.44 1.99 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.612 0.244 . . . . 63.05 110.872 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.53 -17.39 48.14 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.526 2.15 . . . . 52.15 112.578 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.83 -43.9 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 73.14 111.178 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -77.49 -44.39 28.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.742 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.736 ' CD2' HD11 ' B' ' 4' ' ' ILE . 0.4 OUTLIER -69.25 -32.8 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.416 . . . . 53.33 110.085 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.43 -41.78 29.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.711 -0.757 . . . . 72.44 111.8 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -29.68 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 73.3 110.817 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.866 ' O ' HG23 ' B' ' 63' ' ' VAL . 12.8 tp -61.66 -44.91 96.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.962 0.411 . . . . 60.14 110.928 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 56' ' ' LEU . 0.4 OUTLIER -59.82 -51.63 68.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.863 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.0 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 52.41 110.704 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.21 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.674 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.9 t -56.5 -33.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.951 -0.568 . . . . 53.41 111.132 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -60.41 -29.17 68.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.764 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -74.88 -12.18 60.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.415 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.0 t -74.28 104.05 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.902 0.382 . . . . 74.32 110.764 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -50.42 120.48 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 70.54 110.895 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.13 19.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 74.01 112.703 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.709 HG11 HG12 ' B' ' 63' ' ' VAL . 58.7 t -75.51 117.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.859 0.361 . . . . 75.03 110.825 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -54.2 14.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 75.41 111.022 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -166.83 169.04 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 71.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.48 HG21 ' HB ' ' B' ' 63' ' ' VAL . 22.0 t -128.06 138.94 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.135 -0.484 . . . . 72.14 111.006 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.42 132.59 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 71.41 111.298 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -70.32 109.23 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.718 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.717 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 86.9 t . . . . . 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 70.32 111.22 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.815 0.34 . . . . 75.31 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.35 149.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 116.206 -0.452 . . . . 64.2 111.141 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.679 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -108.21 164.35 12.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.787 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 3' ' ' ALA . 20.8 mm -139.99 131.79 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 120.993 0.425 . . . . 71.33 111.56 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.07 114.3 28.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.86 -0.609 . . . . 71.15 110.046 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -113.53 112.64 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.846 0.355 . . . . 64.13 111.703 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.59 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.1 mt-10 -89.27 130.47 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.432 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.41 168.75 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 73.52 111.501 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.31 145.57 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 53.54 111.066 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.5 80.61 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 71.14 111.253 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -153.43 141.42 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.719 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.857 ' ND1' HD12 ' B' ' 29' ' ' ILE . 55.2 t60 -68.31 -26.02 65.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 72.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -55.72 -34.3 65.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 71.35 110.769 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.5 mm? -64.83 -47.19 78.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 72.12 110.629 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 4.0 mm? -59.34 -50.71 72.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 73.23 110.673 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 p -60.71 -37.45 81.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.851 -0.613 . . . . 64.41 110.572 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.79 -43.89 82.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.508 . . . . 74.11 110.698 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.4 t -68.42 -37.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 63.45 110.709 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.551 HG21 HD22 ' B' ' 15' ' ' LEU . 16.7 m -68.8 -36.62 78.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 72.25 110.415 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -62.82 -37.56 87.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 73.3 110.636 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.58 85.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.016 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 HG12 ' A' ' 29' ' ' ILE . 72.8 mt -65.15 -51.15 62.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 75.54 110.821 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.76 76.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.961 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.99 -30.67 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.871 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.14 18.43 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.53 111.178 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 57.17 38.47 28.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.348 . . . . 53.02 111.113 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 t -91.18 128.65 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.016 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -89.06 118.82 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.02 110.982 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 22' ' ' LEU . 3.3 mt -96.31 137.2 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 73.12 111.103 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 30' ' ' LEU . 8.1 mt -89.74 -37.1 14.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.918 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.749 ' CB ' HG22 ' B' ' 35' ' ' THR . 4.4 m -163.91 163.55 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.51 111.159 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -161.87 139.96 9.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.239 -0.437 . . . . 42.04 111.245 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.414 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 1.1 m -163.79 143.24 8.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.13 -0.486 . . . . 71.53 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.452 HG11 HD21 ' A' ' 15' ' ' LEU . 14.9 p -130.94 139.51 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.934 0.397 . . . . 74.4 111.344 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.3 p -136.69 154.04 50.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.965 -0.561 . . . . 73.22 110.857 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.3 p -59.83 121.42 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.896 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 t -77.68 -34.2 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.51 110.836 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.82 -85.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.914 -0.66 . . . . 40.34 112.255 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.29 -77.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 74.35 110.547 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.56 33.4 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.1 0.476 . . . . 74.31 110.256 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.46 147.25 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.607 -0.724 . . . . 74.23 111.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.9 124.61 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.01 111.053 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 43' ' ' ILE . 3.3 tt -91.16 123.41 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.284 -0.416 . . . . 70.43 111.074 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.577 ' OG ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.09 147.53 24.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.829 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -143.84 122.75 12.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 43.44 110.48 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 14.4 p90 -141.77 140.16 32.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.082 0.467 . . . . 64.33 111.485 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.6 m -105.58 134.54 48.53 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.793 -0.64 . . . . 74.21 110.446 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 129.92 12.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.329 -0.396 . . . . 74.22 111.13 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.79 132.7 34.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 64.54 110.951 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.9 mmt -149.91 165.17 33.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 73.44 110.99 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.56 -38.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.495 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.53 111.58 10.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.584 0.23 . . . . 72.15 110.842 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.19 -27.8 34.73 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.41 2.073 . . . . 73.44 112.366 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -38.52 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.937 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.558 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -77.65 -39.21 45.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 71.35 110.697 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -34.91 68.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.214 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.8 -38.79 30.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.662 -0.78 . . . . 74.1 111.848 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -77.18 -27.76 53.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 71.33 110.882 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -59.83 -44.13 94.2 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.01 0.434 . . . . 71.53 110.879 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD11 ' HE ' ' A' ' 74' ' ' ARG . 44.1 mt -59.6 -50.98 71.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.934 -0.575 . . . . 71.12 110.84 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -60.92 -35.63 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 75.44 110.698 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.09 92.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.73 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 59' ' ' LEU . 18.1 t -56.4 -32.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.91 -0.586 . . . . 74.43 111.114 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -30.05 69.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 71.05 110.778 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.61 -5.49 50.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.225 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.9 t -73.98 104.06 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.881 0.372 . . . . 74.54 110.781 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -50.43 120.3 4.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.805 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -22.07 23.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 72.24 112.473 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.4 t -87.81 129.97 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.91 0.386 . . . . 72.24 111.091 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -56.49 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 63.24 111.312 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -166.72 169.19 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 73.2 111.21 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.703 HG21 ' HB ' ' A' ' 63' ' ' VAL . 21.6 t -123.26 139.63 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 73.25 111.469 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.34 122.69 21.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.328 -0.396 . . . . 63.23 111.189 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HE ' HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -64.62 110.45 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 75.24 111.035 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.501 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 1.7 t . . . . . 0 N--CA 1.452 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.968 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.629 HG11 ' HD3' ' B' ' 74' ' ' ARG . 23.6 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.738 0.304 . . . . 71.32 111.202 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.632 ' HB3' ' C ' ' B' ' 75' ' ' VAL . . . -106.43 156.22 18.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.069 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' B' ' 48' ' ' PHE . 3.1 mp -140.93 131.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.306 -0.407 . . . . 75.25 111.46 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HG3' HG21 ' B' ' 75' ' ' VAL . 0.8 OUTLIER -105.06 114.86 29.31 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.2 -0.454 . . . . 65.12 110.708 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.78 112.91 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.366 -0.379 . . . . 54.42 111.346 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.595 ' O ' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -96.5 130.41 43.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.781 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.806 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -156.71 151.73 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 75.53 111.182 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.619 ' O ' HD12 ' B' ' 14' ' ' LEU . 47.4 mt -57.13 143.4 38.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.988 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.51 93.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -127.33 179.31 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -101.01 -30.07 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.41 18.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.806 HD13 ' HB1' ' B' ' 8' ' ' ALA . 9.8 mt -57.12 -43.81 82.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.35 -0.386 . . . . 70.11 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.577 ' CG ' HG11 ' B' ' 34' ' ' VAL . 1.1 tt -60.75 -54.13 48.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 73.21 110.666 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -60.06 -32.02 70.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 63.11 110.637 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.3 -43.78 80.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 73.14 110.682 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 14' ' ' LEU . 33.6 t -65.38 -45.1 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.74 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.428 ' CG2' ' CE1' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -69.67 -39.17 77.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.801 -0.636 . . . . 41.42 110.099 179.412 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.703 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.45 77.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 70.35 110.653 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.33 -33.33 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.751 -0.658 . . . . 75.11 110.596 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.4 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 75.2 111.125 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.03 -38.6 68.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 74.53 110.871 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.62 18.73 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.12 110.95 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt 54.33 24.65 5.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.331 -0.395 . . . . 75.5 111.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.91 91.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 53.34 110.586 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -63.96 100.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 74.34 111.06 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.857 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -89.46 131.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 75.34 110.172 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.6 mt -74.39 -25.02 59.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 74.53 110.699 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.1 t -137.79 136.09 36.9 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.103 -0.499 . . . . 64.02 110.616 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.602 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -141.51 121.5 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 74.31 110.285 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 86.6 p -160.13 129.8 5.23 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.039 0.447 . . . . 63.14 111.794 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.577 HG11 ' CG ' ' B' ' 15' ' ' LEU . 9.3 p -131.19 119.8 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.941 -0.572 . . . . 72.43 111.065 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.749 HG22 ' CB ' ' A' ' 31' ' ' SER . 16.4 p -136.5 153.99 50.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.033 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 19.1 p -77.62 140.77 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.931 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 t -132.57 97.53 4.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.905 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.07 -116.23 5.2 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.773 -0.727 . . . . 71.54 112.523 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -137.77 113.15 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 74.2 110.927 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 63.04 40.96 8.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 65.54 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 t -137.19 112.71 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.094 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.21 115.8 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 44.34 111.143 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.512 HD13 ' HG3' ' B' ' 7' ' ' GLU . 20.7 mm -99.38 113.16 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.116 -0.493 . . . . 62.24 111.241 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.41 150.08 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.778 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -137.62 129.49 28.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.302 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.57 ' HB3' HG21 ' B' ' 29' ' ' ILE . 88.6 m-85 -139.77 125.45 19.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.002 0.43 . . . . 74.55 111.588 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LEU . 92.8 m -117.59 115.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.893 -0.594 . . . . 74.41 110.013 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' B' ' 4' ' ' ILE . 2.7 p90 -130.97 168.42 17.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.959 0.409 . . . . 75.24 111.754 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.4 112.04 17.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.825 -0.625 . . . . 73.22 110.958 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 10.4 ttp -149.93 149.04 29.83 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.389 . . . . 70.1 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.48 -39.06 3.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 74.52 112.483 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.43 110.4 2.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.565 0.222 . . . . 63.05 110.836 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' B' ' 56' ' ' LEU . 67.6 Cg_endo -73.82 -28.67 11.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.502 2.135 . . . . 52.15 112.472 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.36 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.19 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -77.15 -44.38 30.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.525 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' N ' ' B' ' 57' ' ' GLY . 4.2 pp -74.7 -33.39 62.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 53.33 109.884 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' GLY . . . . . 0.462 ' N ' HD12 ' B' ' 56' ' ' LEU . . . -74.3 -34.39 54.85 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.623 -0.799 . . . . 72.44 111.474 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.11 -44.51 53.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.838 0.351 . . . . 73.3 110.963 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.893 ' O ' HG23 ' B' ' 63' ' ' VAL . 3.8 pp -66.48 -38.97 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 60.14 110.601 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.767 ' N ' HD12 ' B' ' 59' ' ' LEU . 2.4 mt -59.53 -52.08 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 72.13 110.407 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -62.39 -37.4 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 52.41 110.242 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.7 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 62.43 110.659 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.893 HG23 ' O ' ' B' ' 59' ' ' LEU . 38.4 t -55.91 -35.2 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 53.41 111.15 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -58.84 -28.61 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -77.92 -5.03 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 73.03 111.488 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 63' ' ' VAL . 30.2 t -72.94 104.16 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.857 0.361 . . . . 74.32 110.603 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.519 ' O ' HD21 ' B' ' 14' ' ' LEU . 7.1 pt-20 -49.78 120.11 4.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 70.54 110.867 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.416 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.2 -24.25 18.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.845 -0.693 . . . . 74.01 112.706 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.595 HG13 ' O ' ' B' ' 7' ' ' GLU . 55.4 t -80.61 122.67 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.851 0.358 . . . . 75.03 110.862 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -60.63 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.907 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.79 169.13 13.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.833 -0.621 . . . . 71.54 110.972 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -126.59 140.77 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.193 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -135.27 126.74 28.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.41 111.171 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.629 ' HD3' HG11 ' B' ' 2' ' ' VAL . 2.1 mtt180 -69.81 109.24 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.894 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.632 ' C ' ' HB3' ' B' ' 3' ' ' ALA . 1.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 70.32 110.807 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.917 0.389 . . . . 75.31 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.568 HG11 ' HD2' ' A' ' 74' ' ' ARG . 21.8 t -82.25 149.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 64.2 111.174 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -110.69 165.35 11.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.968 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 48' ' ' PHE . 29.0 mt -142.68 131.97 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.892 0.377 . . . . 71.33 111.391 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.679 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.3 mt-30 -105.38 106.38 16.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.149 -0.478 . . . . 71.15 110.621 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 72' ' ' VAL . 24.7 t -102.62 112.72 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.355 -0.384 . . . . 64.13 111.391 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.529 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -88.59 125.2 34.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 72.24 110.449 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.858 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.4 159.56 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 73.52 111.316 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 14' ' ' LEU . 64.7 mt -50.34 146.45 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 53.54 110.968 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.698 ' OD2' HG22 ' A' ' 36' ' ' THR . 12.4 m-20 -66.24 76.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 111.162 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -142.23 122.44 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.727 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.817 ' ND1' HD12 ' B' ' 29' ' ' ILE . 29.1 t60 -58.55 -28.1 65.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 72.33 110.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.29 67.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 71.35 110.697 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 18' ' ' VAL . 90.4 mt -66.91 -45.65 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 72.12 110.685 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.7 mm? -61.68 -47.29 85.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.986 -0.552 . . . . 73.23 110.576 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -62.17 -40.24 95.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.866 -0.606 . . . . 64.41 110.503 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 74.11 110.557 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.2 t -67.73 -37.27 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 63.45 110.816 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.438 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.8 m -67.05 -38.88 86.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 72.25 110.441 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -61.32 -40.63 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 73.3 110.634 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.38 85.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 74.43 110.944 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.69 HD13 HD11 ' A' ' 29' ' ' ILE . 50.8 mt -65.5 -51.84 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.832 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.989 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.78 -30.55 71.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 72.31 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -98.79 15.29 25.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.183 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt 58.22 48.49 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 53.02 110.953 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 25' ' ' GLU . 21.5 t -104.31 110.31 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.082 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.63 115.39 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 63.02 110.874 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 22' ' ' LEU . 4.8 mt -96.16 129.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.12 111.064 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.15 -33.39 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 72.1 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -173.25 171.55 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 72.51 110.939 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.77 147.98 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 42.04 111.184 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -163.65 131.46 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 43' ' ' ILE . 13.7 p -130.73 138.39 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.4 111.305 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 p -136.65 153.98 50.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.916 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.698 HG22 ' OD2' ' A' ' 10' ' ' ASP . 40.3 p -78.6 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.961 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -81.14 -28.94 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.973 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -162.61 -134.57 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.664 -0.779 . . . . 40.34 112.66 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.19 117.36 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 74.35 110.972 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 54.3 34.88 21.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.31 111.002 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.604 HG23 ' H ' ' A' ' 38' ' ' GLY . 16.1 m -137.43 107.64 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.806 -0.634 . . . . 74.23 110.993 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.613 ' HB2' ' OD2' ' A' ' 10' ' ' ASP . . . -110.92 121.46 45.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.01 111.346 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.529 ' C ' HG23 ' A' ' 34' ' ' VAL . 16.6 mm -89.83 110.9 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.05 -0.523 . . . . 70.43 110.902 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -98.04 138.43 35.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.125 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 117.19 26.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.972 -0.558 . . . . 43.44 110.49 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.18 125.47 52.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.367 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -110.79 118.07 35.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.976 -0.556 . . . . 74.21 110.589 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -150.74 169.42 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 74.22 111.118 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.71 160.36 17.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 64.54 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.13 160.64 15.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.231 -0.441 . . . . 73.44 110.969 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.92 -54.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.656 -0.783 . . . . 74.22 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.42 100.34 29.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.572 0.225 . . . . 72.15 110.983 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.78 -32.28 55.19 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.43 2.086 . . . . 73.44 112.369 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -64.49 -34.66 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 72.32 110.969 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' O ' HD12 ' A' ' 59' ' ' LEU . 31.0 m80 -77.51 -42.83 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.668 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.767 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.7 tt -72.62 -32.7 66.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.165 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.08 -43.7 32.28 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.709 -0.758 . . . . 74.1 111.876 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 71.33 110.7 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.868 ' O ' HG23 ' A' ' 63' ' ' VAL . 7.5 mt -63.52 -46.95 83.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 71.53 110.828 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 56' ' ' LEU . 3.6 mm? -58.03 -49.87 75.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 71.12 110.795 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -39.11 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.638 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.71 95.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 71.12 110.708 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.7 t -57.35 -30.57 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.986 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -60.84 -28.76 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 71.05 110.839 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -83.18 2.8 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.517 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -80.97 104.2 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 120.875 0.369 . . . . 74.54 110.793 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.93 120.46 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.499 . . . . 74.1 110.631 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.31 -21.93 23.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 72.24 112.655 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.5 t -86.59 123.1 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.24 111.168 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.55 -56.04 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.286 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -165.93 169.17 15.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.989 -0.551 . . . . 73.2 111.092 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG21 HG11 ' A' ' 63' ' ' VAL . 22.8 t -129.72 138.43 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.139 -0.482 . . . . 73.25 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -135.53 126.54 27.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.26 -0.427 . . . . 63.23 111.142 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.568 ' HD2' HG11 ' A' ' 2' ' ' VAL . 22.3 ttp180 -64.33 110.56 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 75.24 110.785 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.679 HG21 ' HG3' ' A' ' 5' ' ' GLN . 34.7 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 75.21 111.239 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.647 HG11 ' HD2' ' B' ' 74' ' ' ARG . 29.1 t . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.914 0.388 . . . . 71.32 111.169 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.768 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -100.73 153.01 19.8 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.95 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.768 HD13 ' O ' ' B' ' 3' ' ' ALA . 16.3 mm -133.31 131.93 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.296 -0.411 . . . . 75.25 111.411 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -106.06 104.88 14.69 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.61 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.55 113.05 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.29 -0.413 . . . . 54.42 111.552 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.613 ' O ' HG13 ' B' ' 69' ' ' VAL . 18.4 tt0 -95.52 139.23 32.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.093 -0.503 . . . . 75.13 110.8 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -159.32 163.1 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 75.53 111.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.704 ' O ' HD12 ' B' ' 14' ' ' LEU . 3.1 mt -59.4 144.27 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.909 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.7 88.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -138.78 143.3 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 62.53 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.59 ' HA ' HD12 ' B' ' 15' ' ' LEU . 20.3 p-80 -68.21 -29.89 68.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 73.15 111.014 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.4 ' HG2' ' CD2' ' B' ' 12' ' ' HIS . 3.0 mmt180 -80.16 -37.65 32.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 73.14 111.003 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.704 HD12 ' O ' ' B' ' 9' ' ' LEU . 23.0 mt -57.3 -39.67 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.846 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.655 ' CD2' HG21 ' B' ' 34' ' ' VAL . 5.3 mt -59.89 -56.36 22.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 73.21 110.339 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.56 -30.04 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 63.11 110.182 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.7 -48.08 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.394 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 14' ' ' LEU . 29.4 t -64.95 -41.35 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.569 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.646 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.33 -39.79 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 41.42 110.259 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -68.97 -37.88 79.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.634 . . . . 75.32 110.738 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.81 77.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -84.68 -30.13 25.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 75.11 110.834 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -36.59 76.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 75.2 111.442 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -57.32 -25.16 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.073 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.82 9.85 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 73.12 111.142 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 55.14 23.73 5.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.768 0.318 . . . . 75.5 111.116 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.18 93.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 53.34 110.696 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -64.07 100.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.817 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.9 mt -89.35 128.25 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.418 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' B' ' 49' ' ' GLU . 2.8 mt -74.46 -28.82 61.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 74.53 110.304 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -132.98 131.4 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.026 -0.534 . . . . 64.02 110.729 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.41 121.56 17.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.305 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.46 133.71 7.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.974 0.416 . . . . 63.14 111.889 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.655 HG21 ' CD2' ' B' ' 15' ' ' LEU . 9.2 p -131.21 123.44 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 72.43 110.969 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -136.59 153.99 50.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.061 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -72.6 134.58 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 73.42 110.951 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.57 -47.18 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 74.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.745 ' H ' HG23 ' B' ' 41' ' ' VAL . . . -155.33 -103.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.672 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.05 115.55 29.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 74.2 111.108 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 53.87 36.7 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 65.54 111.205 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.745 HG23 ' H ' ' B' ' 38' ' ' GLY . 0.2 OUTLIER -137.4 107.57 5.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 72.23 111.091 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.11 127.25 47.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 44.34 111.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.408 HD13 ' HG3' ' B' ' 7' ' ' GLU . 20.8 mm -103.88 122.33 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 62.24 111.425 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.57 148.49 25.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 61.43 110.567 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -134.95 121.75 20.93 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.431 -0.35 . . . . 75.41 110.604 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.62 ' CD2' HD13 ' B' ' 29' ' ' ILE . 74.1 m-85 -129.37 125.26 36.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.021 0.438 . . . . 74.55 111.344 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.472 ' O ' ' N ' ' B' ' 30' ' ' LEU . 68.4 m -115.23 119.83 37.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.855 -0.611 . . . . 74.41 110.047 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -136.11 151.34 49.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.88 0.372 . . . . 75.24 111.572 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' B' ' 30' ' ' LEU . 1.7 tm-20 -102.64 111.96 24.5 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.907 -0.588 . . . . 73.22 110.871 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 20.8 mtt -149.91 165.85 31.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 70.1 111.041 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.68 -42.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 74.52 112.505 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.571 ' O ' HD12 ' B' ' 56' ' ' LEU . 2.2 m-20 -55.81 107.22 0.82 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.582 0.23 . . . . 63.05 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.98 -26.49 74.08 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.584 2.19 . . . . 52.15 112.327 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -33.38 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 73.14 111.034 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.758 ' O ' HD13 ' B' ' 59' ' ' LEU . 1.1 m80 -77.45 -44.5 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 74.11 110.721 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.571 HD12 ' O ' ' B' ' 52' ' ' ASP . 5.2 mp -71.28 -32.82 69.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.939 0.4 . . . . 53.33 110.157 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.93 -40.05 31.58 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.751 -0.737 . . . . 72.44 111.831 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 73.3 110.803 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.843 ' O ' HG23 ' B' ' 63' ' ' VAL . 3.9 mp -62.71 -47.23 84.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.331 -0.395 . . . . 60.14 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -46.47 89.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.76 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -61.94 -39.02 90.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 52.41 110.718 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -44.74 88.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 62.43 110.651 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 59' ' ' LEU . 38.8 t -57.08 -32.01 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 53.41 110.965 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.73 -28.95 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.719 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -82.04 1.18 37.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.259 -0.428 . . . . 73.03 111.526 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.4 t -81.51 104.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.981 0.42 . . . . 74.32 110.73 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.5 120.69 6.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 70.54 110.809 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.16 19.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.713 . . . . 74.01 112.777 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.613 HG13 ' O ' ' B' ' 7' ' ' GLU . 61.9 t -79.11 123.08 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 120.863 0.363 . . . . 75.03 110.764 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.66 -59.61 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 75.41 111.048 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -166.7 169.15 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.942 -0.572 . . . . 71.54 111.133 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.94 135.07 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.956 -0.565 . . . . 72.14 111.13 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.3 125.34 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 71.41 111.355 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.647 ' HD2' HG11 ' B' ' 2' ' ' VAL . 8.0 ttp180 -65.77 117.29 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.514 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 11.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 70.32 111.2 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 1' ' ' LEU . 2.5 pp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.854 0.359 . . . . 75.31 111.232 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.22 146.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.238 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.43 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.61 163.44 13.46 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.999 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 48' ' ' PHE . 23.9 mt -144.27 132.31 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.934 0.397 . . . . 71.33 111.552 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.549 ' HG3' HG21 ' A' ' 75' ' ' VAL . 1.8 mt-30 -107.15 105.68 15.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.048 -0.524 . . . . 71.15 110.536 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.531 HG13 HG22 ' A' ' 72' ' ' VAL . 21.8 t -102.61 112.65 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.258 -0.428 . . . . 64.13 111.291 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.7 tt0 -89.54 128.54 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.642 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.662 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.35 165.0 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.985 0.421 . . . . 73.52 111.443 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 14' ' ' LEU . 68.0 mt -51.94 144.32 11.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 53.54 111.053 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -63.94 83.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.14 111.098 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -153.51 127.56 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.852 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.878 ' ND1' HD12 ' B' ' 29' ' ' ILE . 60.9 t60 -60.11 -28.93 68.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 72.33 110.877 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.526 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 0.2 OUTLIER -56.2 -38.01 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 71.35 110.824 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.4 mt -62.39 -41.28 98.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 72.12 110.827 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.6 mm? -61.55 -47.78 84.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 73.23 110.586 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.46 ' HB2' HG22 ' B' ' 19' ' ' THR . 37.6 t -61.47 -41.04 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.867 -0.606 . . . . 64.41 110.546 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.76 -41.53 99.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.723 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 14' ' ' LEU . 28.5 t -66.74 -39.68 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 63.45 110.826 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.443 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.9 m -66.14 -38.62 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 72.25 110.506 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.48 -42.04 99.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 73.3 110.647 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.44 87.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.955 -0.566 . . . . 74.43 110.87 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 27' ' ' VAL . 31.8 mt -66.98 -49.81 64.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.809 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.961 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.78 -30.47 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.833 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.38 22.43 14.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.53 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? 58.78 41.56 21.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 53.02 111.016 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 22' ' ' LEU . 27.5 t -94.02 128.48 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.136 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.21 112.45 25.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.846 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.47 135.23 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.144 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -85.51 -34.64 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.922 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 t -173.21 162.92 4.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 72.51 111.077 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 45' ' ' ARG . . . -168.13 154.71 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 42.04 111.01 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.2 t -163.61 130.63 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 71.53 110.91 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.639 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.6 p -112.88 136.99 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.455 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 p -136.63 154.04 50.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.084 -0.507 . . . . 73.22 110.783 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -58.23 121.75 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 71.24 110.985 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.486 ' HB3' HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -80.57 -36.94 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 63.51 110.807 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.93 -89.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.853 -0.689 . . . . 40.34 112.295 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.23 -78.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 74.35 110.638 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 33.05 2.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.108 0.48 . . . . 74.31 110.172 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 37' ' ' SER . 11.6 p -137.46 141.17 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.651 -0.704 . . . . 74.23 111.233 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.63 123.66 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.075 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.639 ' C ' HG23 ' A' ' 34' ' ' VAL . 6.5 tp -89.99 120.41 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.269 -0.423 . . . . 70.43 111.131 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -98.1 125.26 43.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.884 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.503 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -97.14 148.29 23.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.155 -0.475 . . . . 43.44 110.595 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -145.32 149.69 35.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.996 0.427 . . . . 64.33 111.187 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' HD13 ' A' ' 1' ' ' LEU . 93.2 m -145.55 122.86 11.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 74.21 110.537 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.73 131.99 14.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.334 -0.394 . . . . 74.22 111.213 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.9 115.84 26.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.836 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.99 165.78 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.923 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.76 -40.64 0.9 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 74.22 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 4.1 m-20 -58.04 109.84 2.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.529 0.205 . . . . 72.15 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.76 -15.96 18.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.437 2.091 . . . . 73.44 112.721 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -43.81 97.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.379 . . . . 72.32 111.118 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 13.9 p80 -77.77 -34.12 52.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.732 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.536 HD13 ' HZ ' ' A' ' 48' ' ' PHE . 53.4 tp -73.51 -36.05 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 75.0 110.144 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.0 29.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.722 -0.752 . . . . 74.1 111.756 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -80.39 -24.3 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.721 0.296 . . . . 71.33 110.979 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.906 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 mt -57.31 -44.87 84.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.86 0.362 . . . . 71.53 110.967 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.96 -49.73 76.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.042 -0.527 . . . . 71.12 110.961 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.44 -37.37 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 75.44 110.717 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.28 74.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.754 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -58.05 -29.73 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 74.43 110.768 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.1 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 71.05 110.514 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -78.37 -3.91 45.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 74.2 111.321 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.5 t -76.96 104.13 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 120.836 0.351 . . . . 74.54 110.827 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.36 121.23 5.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 74.1 110.644 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -23.34 21.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.657 -0.782 . . . . 72.24 112.49 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 8' ' ' ALA . 44.0 t -86.11 125.21 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.838 0.351 . . . . 72.24 111.05 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -73.63 -54.72 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.24 111.28 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -166.71 169.21 13.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 73.2 111.065 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 6' ' ' VAL . 21.9 t -131.19 137.93 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.315 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -135.46 124.26 23.94 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.229 -0.442 . . . . 63.23 110.984 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.71 110.28 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.699 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' A' ' 5' ' ' GLN . 33.9 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.261 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.902 0.382 . . . . 71.32 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.78 152.31 18.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 72.13 111.172 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.4 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 25.1 mt -133.42 136.48 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 75.25 111.424 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HB2' HG23 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -110.21 113.02 25.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.817 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -102.63 112.8 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.294 -0.412 . . . . 54.42 111.323 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.604 ' O ' HG13 ' B' ' 69' ' ' VAL . 1.9 mt-10 -91.86 137.42 32.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.824 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.45 145.32 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 75.53 111.161 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.494 HD11 HD11 ' B' ' 14' ' ' LEU . 3.4 pp -59.44 147.56 36.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.89 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.69 110.88 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.941 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.43 148.82 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.53 110.903 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -88.46 60.19 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.876 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -177.79 -39.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 73.14 110.897 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 18' ' ' VAL . 81.4 mt -56.76 -38.91 73.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.477 . . . . 70.11 110.905 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.78 ' CD2' HG21 ' B' ' 34' ' ' VAL . 5.2 mt -60.54 -51.42 69.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.095 -0.502 . . . . 73.21 110.579 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -60.45 -35.94 77.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.768 -0.651 . . . . 63.11 110.405 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -43.63 94.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 73.14 110.568 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 14' ' ' LEU . 38.7 t -64.03 -46.12 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 75.1 110.614 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 16' ' ' SER . 0.2 OUTLIER -67.48 -41.38 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 41.42 110.247 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -36.04 74.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.601 . . . . 75.32 110.727 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 70.35 110.704 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -72.41 -34.3 67.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.804 -0.635 . . . . 75.11 110.561 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' HG2' ' A' ' 13' ' ' ARG . . . -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.047 -0.524 . . . . 75.2 111.146 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.38 -37.71 62.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.923 0.392 . . . . 74.53 110.939 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -99.3 22.27 10.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.855 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 25.41 6.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 75.5 111.292 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.86 88.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 53.34 110.428 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -63.88 100.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 74.34 111.131 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.878 HD12 ' ND1' ' A' ' 12' ' ' HIS . 7.5 mt -88.11 138.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.62 . . . . 75.34 110.121 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 47' ' ' THR . 5.6 mt -74.53 -23.18 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 74.53 111.03 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.48 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -150.22 137.86 19.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.88 0.371 . . . . 64.02 110.916 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.472 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -137.34 121.59 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 74.31 110.355 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 73.7 p -157.98 140.12 14.24 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.876 0.37 . . . . 63.14 111.766 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.78 HG21 ' CD2' ' B' ' 15' ' ' LEU . 11.5 p -131.14 131.86 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.047 -0.524 . . . . 72.43 111.094 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -136.55 147.56 47.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.31 -0.404 . . . . 74.23 110.983 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -69.66 137.15 51.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.951 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.787 ' OG ' HD11 ' B' ' 43' ' ' ILE . 3.0 t -76.73 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.925 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.6 -94.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.769 . . . . 71.54 112.466 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.481 ' O ' HG23 ' B' ' 41' ' ' VAL . 5.3 t0 -111.18 110.96 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 74.2 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 60.17 40.94 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.949 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.7 t -137.21 139.16 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.155 -0.475 . . . . 72.23 111.205 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -122.3 143.86 49.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 44.34 111.125 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.787 HD11 ' OG ' ' B' ' 37' ' ' SER . 26.8 mt -130.2 117.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.177 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.2 OUTLIER -98.14 152.05 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.744 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' SER . 12.7 mtm-85 -140.69 122.05 14.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.279 -0.419 . . . . 75.41 110.355 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.669 ' HB3' HG21 ' B' ' 29' ' ' ILE . 74.8 m-85 -127.7 125.32 39.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.964 0.411 . . . . 74.55 111.577 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.441 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.9 m -111.55 115.02 28.48 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.902 -0.59 . . . . 74.41 109.753 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.645 ' HB3' HG23 ' B' ' 29' ' ' ILE . 2.7 p90 -139.39 171.93 13.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 75.24 111.472 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.89 165.88 14.95 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.871 -0.604 . . . . 73.22 110.616 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.401 ' CG ' ' CD1' ' B' ' 56' ' ' LEU . 3.0 ttp -108.8 161.06 15.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.007 0.432 . . . . 70.1 111.512 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.31 -61.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.8 -0.636 . . . . 74.52 112.111 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.49 103.06 44.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.482 0.182 . . . . 63.05 110.57 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.57 -27.9 82.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.448 2.099 . . . . 52.15 112.463 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.24 -34.38 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 73.14 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -44.38 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 74.11 110.624 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.401 ' CD1' ' CG ' ' B' ' 50' ' ' MET . 4.1 mt -70.06 -32.34 70.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 53.33 110.059 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.43 -44.35 34.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.715 -0.755 . . . . 72.44 111.721 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -31.36 59.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 73.3 110.752 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 63' ' ' VAL . 16.4 mt -64.3 -47.57 78.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.268 -0.423 . . . . 60.14 111.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -49.21 77.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 72.13 110.791 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -61.98 -39.66 92.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 52.41 110.555 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.18 91.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 62.43 110.701 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.3 t -56.69 -31.87 36.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.937 -0.574 . . . . 53.41 111.055 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.36 -29.61 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.826 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -82.46 2.0 34.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.03 111.663 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' B' ' 63' ' ' VAL . 22.4 t -81.79 104.15 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.849 0.357 . . . . 74.32 110.773 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -54.07 119.63 5.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.037 -0.529 . . . . 70.54 110.989 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.17 19.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 74.01 112.735 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.604 HG13 ' O ' ' B' ' 7' ' ' GLU . 45.3 t -81.02 124.3 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.773 0.321 . . . . 75.03 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -62.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.911 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.77 169.07 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.032 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' B' ' 63' ' ' VAL . 21.7 t -120.95 128.69 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.984 -0.553 . . . . 72.14 111.085 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.3 130.18 34.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.346 -0.388 . . . . 71.41 111.156 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.06 123.76 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 73.22 110.85 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' B' ' 5' ' ' GLN . 75.9 t . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 70.32 111.183 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.926 0.393 . . . . 75.31 111.215 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.29 141.87 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.2 111.194 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.499 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -98.21 152.43 19.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.088 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.668 HD11 ' CE2' ' A' ' 48' ' ' PHE . 23.5 mt -130.79 132.11 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.421 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -109.37 104.75 13.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.571 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 72' ' ' VAL . 25.3 t -104.83 112.82 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.266 -0.424 . . . . 64.13 111.311 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.573 ' O ' HG13 ' A' ' 69' ' ' VAL . 1.1 mt-10 -89.98 130.58 36.16 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.108 -0.497 . . . . 72.24 110.663 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.42 165.24 33.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.339 -0.391 . . . . 73.52 111.17 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 40' ' ' ARG . 6.1 mt -52.84 145.08 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 53.54 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -62.57 83.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.132 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -153.5 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.787 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.858 ' ND1' HD12 ' B' ' 29' ' ' ILE . 59.7 t60 -60.66 -26.63 67.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 72.33 110.734 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -56.75 -40.7 76.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 71.35 110.74 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.5 mt -65.79 -43.2 89.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 72.12 110.745 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 44' ' ' SER . 3.6 mm? -61.13 -49.17 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.538 . . . . 73.23 110.578 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 64.41 110.487 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.64 -41.02 96.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.045 -0.525 . . . . 74.11 110.538 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 14' ' ' LEU . 32.7 t -68.12 -37.73 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 63.45 110.778 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -66.19 -38.21 87.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 72.25 110.482 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.14 -40.32 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 73.3 110.636 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.86 92.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 74.43 110.83 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.506 HD23 HD21 ' A' ' 59' ' ' LEU . 87.5 mt -65.57 -47.92 74.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 75.54 110.752 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.09 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -31.73 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -101.79 20.83 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.53 111.187 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm 57.92 30.6 19.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 53.02 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 25' ' ' GLU . 30.9 t -79.79 96.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.02 111.05 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.14 110.22 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.934 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -89.22 129.24 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 49' ' ' GLU . 13.2 mt -83.71 -38.13 21.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.693 ' HB3' HG22 ' B' ' 35' ' ' THR . 3.9 m -173.17 170.92 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.06 155.21 8.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 42.04 111.217 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.63 134.83 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.776 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.497 HG23 ' C ' ' A' ' 43' ' ' ILE . 13.5 p -122.97 139.66 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.0 0.429 . . . . 74.4 111.649 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -136.7 132.97 35.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.831 -0.622 . . . . 73.22 110.742 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.4 108.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.24 111.05 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.784 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -59.95 -68.8 0.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 63.51 110.802 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.746 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -113.44 -91.93 1.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.864 -0.684 . . . . 40.34 112.456 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -76.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 74.35 110.802 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -96.59 33.11 1.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.054 0.454 . . . . 74.31 110.487 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.746 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.8 m -137.46 122.29 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.745 -0.662 . . . . 74.23 111.237 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.81 125.59 46.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 74.01 111.263 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.784 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.7 mt -89.85 109.53 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 70.43 110.819 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.481 ' HB3' HD11 ' A' ' 15' ' ' LEU . 60.3 p -101.46 123.89 46.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 73.14 111.29 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -99.96 151.04 21.79 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.026 -0.534 . . . . 43.44 110.623 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -145.76 125.47 13.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.928 0.394 . . . . 64.33 111.177 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -111.8 126.4 55.03 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.044 -0.525 . . . . 74.21 110.681 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.6 p90 -150.65 138.47 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 74.22 111.116 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.4 tt0 -88.8 112.67 23.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.144 -0.48 . . . . 64.54 110.936 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.8 mmt -150.01 164.29 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 73.44 110.979 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.23 17.07 4.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.74 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.7 m-20 -106.39 120.93 46.98 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.608 0.242 . . . . 72.15 110.806 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.29 -24.2 2.09 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.564 2.176 . . . . 73.44 112.767 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -44.24 79.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.32 111.363 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 5.3 p-80 -77.73 -39.27 44.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.327 -0.397 . . . . 71.35 110.436 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 56' ' ' LEU . 6.9 tt -70.71 -32.73 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 75.0 110.016 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -43.25 29.06 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.81 -0.709 . . . . 74.1 111.689 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -71.68 -30.13 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 71.33 110.72 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.899 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.65 -43.69 85.13 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.867 0.365 . . . . 71.53 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD23 ' CG1' ' A' ' 72' ' ' VAL . 5.7 mt -57.57 -48.92 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 71.12 110.858 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.76 -41.53 95.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.62 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.08 99.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 71.12 110.8 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 59' ' ' LEU . 33.2 t -57.17 -30.14 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 74.43 110.901 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -60.34 -30.59 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 71.05 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -78.48 -3.52 43.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 74.2 111.445 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.8 t -77.25 104.13 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.853 0.358 . . . . 74.54 110.747 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' O ' HD21 ' A' ' 14' ' ' LEU . 6.2 pt-20 -53.26 118.88 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.063 -0.517 . . . . 74.1 110.867 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -20.74 25.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.644 -0.789 . . . . 72.24 112.533 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.5 t -88.36 127.45 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 120.846 0.355 . . . . 72.24 111.173 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.2 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 63.24 111.192 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -166.74 169.07 13.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 73.2 111.184 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.56 ' CG2' HG11 ' A' ' 63' ' ' VAL . 21.5 t -121.88 135.39 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.041 -0.527 . . . . 73.25 111.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 128.47 31.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.414 -0.357 . . . . 63.23 111.186 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -69.08 117.39 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.875 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 17.4 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 75.21 111.26 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.897 0.38 . . . . 71.32 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.851 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -99.73 154.39 18.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.851 HD13 ' O ' ' B' ' 3' ' ' ALA . 11.4 mm -137.53 131.91 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.254 -0.43 . . . . 75.25 111.366 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.36 107.45 18.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.105 -0.498 . . . . 65.12 110.52 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.65 112.93 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.29 -0.413 . . . . 54.42 111.41 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.605 ' O ' HG13 ' B' ' 69' ' ' VAL . 16.3 mt-10 -95.97 136.58 36.22 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.785 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.31 152.2 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 75.53 111.061 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.44 148.17 29.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.928 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.87 98.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 73.03 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.458 ' HB2' HD12 ' B' ' 14' ' ' LEU . 0.6 OUTLIER -124.27 -169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 62.53 110.94 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -111.68 -29.82 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 73.15 110.993 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -99.6 -25.21 14.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 73.14 111.251 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.684 HD21 ' O ' ' B' ' 67' ' ' GLU . 9.6 mt -54.55 -39.46 67.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.433 -0.349 . . . . 70.11 111.004 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.707 HD22 HG11 ' B' ' 34' ' ' VAL . 24.0 mt -59.27 -55.2 37.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.321 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.19 -31.19 68.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.74 -0.663 . . . . 63.11 110.249 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.36 -46.47 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 73.14 110.272 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 14' ' ' LEU . 25.4 t -64.58 -42.83 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 75.1 110.526 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.681 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.78 -40.98 79.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.601 . . . . 41.42 110.197 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -69.48 -36.54 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 75.32 110.759 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.29 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 70.35 110.71 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 29' ' ' ILE . 40.7 mt -72.41 -30.99 65.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.788 -0.642 . . . . 75.11 110.66 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.48 57.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 75.2 111.069 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.18 -36.93 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 74.53 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.14 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 73.12 110.982 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 25.35 8.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.335 -0.393 . . . . 75.5 111.178 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -59.25 91.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.331 -0.395 . . . . 53.34 110.542 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -63.83 100.33 0.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.971 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.858 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.0 mt -88.27 127.98 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 75.34 110.234 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' B' ' 47' ' ' THR . 68.5 mt -74.34 -22.24 59.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 74.53 110.828 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -140.56 134.19 30.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.64 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.68 121.52 16.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.435 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -156.85 128.2 6.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.836 0.351 . . . . 63.14 111.814 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.707 HG11 HD22 ' B' ' 15' ' ' LEU . 9.3 p -131.11 121.58 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.087 -0.506 . . . . 72.43 111.048 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 31' ' ' SER . 81.0 p -136.63 154.02 50.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.283 -0.417 . . . . 74.23 111.164 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -80.18 129.9 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.838 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.429 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -80.16 -26.52 39.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.144 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.65 -114.12 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.705 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.01 117.59 35.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 74.2 111.163 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 52.75 36.25 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 65.54 111.237 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.584 ' O ' HG13 ' B' ' 41' ' ' VAL . 9.1 p -137.59 107.55 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 72.23 111.059 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -104.14 145.72 29.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 44.34 111.152 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.429 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.0 mt -130.11 114.23 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.216 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.78 146.98 25.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.738 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -133.19 120.34 21.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.296 -0.411 . . . . 75.41 110.296 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.574 ' HB3' HG21 ' B' ' 29' ' ' ILE . 90.7 m-85 -129.52 125.36 36.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.959 0.409 . . . . 74.55 111.665 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 80.1 m -116.3 115.1 25.31 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.816 -0.629 . . . . 74.41 109.694 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' B' ' 29' ' ' ILE . 2.9 p90 -136.2 171.25 14.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.104 0.478 . . . . 75.24 111.624 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -88.31 125.53 34.72 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.651 -0.704 . . . . 73.22 110.546 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.696 ' SD ' HD22 ' B' ' 56' ' ' LEU . 2.0 ttp -108.97 157.26 18.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.982 0.42 . . . . 70.1 111.449 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.05 -45.72 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.084 -0.579 . . . . 74.52 112.234 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.43 142.02 24.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.623 0.249 . . . . 63.05 110.71 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -77.6 -26.16 7.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.613 2.209 . . . . 52.15 112.618 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.32 -34.56 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.14 111.318 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -77.41 -44.29 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.839 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.696 HD22 ' SD ' ' B' ' 50' ' ' MET . 6.3 tp -73.6 -31.73 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 53.33 110.241 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.22 -42.34 28.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.732 . . . . 72.44 111.9 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -30.67 57.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.834 0.349 . . . . 73.3 110.867 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.872 ' O ' HG23 ' B' ' 63' ' ' VAL . 11.3 mt -62.85 -47.9 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.423 . . . . 60.14 110.962 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.45 -45.33 94.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 72.13 110.718 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.59 -38.27 89.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 52.41 110.785 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.68 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 62.43 110.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.4 t -57.67 -31.96 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 53.41 110.927 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -61.16 -28.33 69.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.693 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -81.69 1.0 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.467 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 63' ' ' VAL . 22.2 t -79.01 104.17 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 120.85 0.357 . . . . 74.32 110.671 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.684 ' O ' HD21 ' B' ' 14' ' ' LEU . 3.9 tt0 -52.53 120.11 5.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 70.54 110.967 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' B' ' 14' ' ' LEU . . . 110.2 -24.06 19.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.846 -0.692 . . . . 74.01 112.709 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.605 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.5 t -81.32 124.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.776 0.322 . . . . 75.03 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -60.15 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.962 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.78 169.1 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.863 -0.608 . . . . 71.54 110.943 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.47 HG21 ' CG1' ' B' ' 63' ' ' VAL . 23.8 t -129.31 136.06 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.133 -0.485 . . . . 72.14 111.219 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.3 133.14 38.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.275 -0.421 . . . . 71.41 111.168 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -71.94 112.75 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.4 t . . . . . 0 N--CA 1.452 -0.374 0 CA-C-N 116.221 -0.445 . . . . 70.32 111.235 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.821 0.343 . . . . 75.31 111.207 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.6 t -82.25 145.93 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.156 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.42 162.57 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.25 -0.432 . . . . 74.21 110.989 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 48' ' ' PHE . 26.6 mt -138.46 132.08 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.33 -0.395 . . . . 71.33 111.377 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -106.81 104.73 14.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.979 -0.555 . . . . 71.15 110.539 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.43 112.75 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.257 -0.429 . . . . 64.13 111.299 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.568 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.2 tt0 -90.59 129.18 36.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.655 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.645 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.35 166.03 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.381 . . . . 73.52 111.321 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 14' ' ' LEU . 7.0 mt -51.16 143.33 11.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.54 111.095 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.622 ' OD2' HG23 ' A' ' 36' ' ' THR . 3.1 m-20 -62.77 82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 71.14 111.122 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.61 121.84 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.794 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.842 ' ND1' HD12 ' B' ' 29' ' ' ILE . 44.6 t60 -60.23 -19.69 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 72.33 110.852 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.69 81.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.904 0.383 . . . . 71.35 110.565 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.2 mt -65.96 -61.05 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 72.12 110.648 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' B' ' 32' ' ' ALA . 0.0 OUTLIER -51.61 -36.49 46.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 73.23 110.739 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 p -65.83 -50.16 65.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 64.41 110.379 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.0 -38.72 83.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 74.11 110.611 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 14' ' ' LEU . 22.6 t -67.29 -39.51 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 63.45 110.775 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.72 HG21 HD22 ' B' ' 15' ' ' LEU . 72.4 m -64.62 -41.13 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 72.25 110.461 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -60.24 -42.38 95.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.89 -0.595 . . . . 73.3 110.663 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.84 91.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 74.43 110.874 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 27' ' ' VAL . 77.6 mt -64.98 -52.28 57.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.731 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.09 73.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.968 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.36 -29.8 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.867 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -101.7 20.55 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 72.53 111.085 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt 60.38 40.43 17.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 53.02 111.006 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 22' ' ' LEU . 24.3 t -92.45 93.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.102 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -65.11 113.57 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.02 110.929 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -92.91 125.13 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 49' ' ' GLU . 55.7 mt -75.64 -37.86 59.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 72.1 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 171.54 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 72.51 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.84 155.72 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 42.04 111.148 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -163.58 128.91 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 71.53 110.744 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' HB3' ' B' ' 32' ' ' ALA . 13.7 p -115.87 141.41 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.977 0.418 . . . . 74.4 111.652 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -136.69 149.0 47.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.951 -0.568 . . . . 73.22 110.715 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.622 HG23 ' OD2' ' A' ' 10' ' ' ASP . 5.4 m -69.61 109.5 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.042 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.752 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.958 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 -86.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 40.34 112.376 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.77 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 74.35 110.746 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -96.98 32.62 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 74.31 110.357 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 37' ' ' SER . 3.2 m -137.54 130.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.65 -0.704 . . . . 74.23 111.186 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -128.68 123.63 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.01 111.228 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.752 HD11 ' OG ' ' A' ' 37' ' ' SER . 8.6 mt -89.77 109.74 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 70.43 110.846 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 1.1 t -98.06 123.86 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 73.14 111.27 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' CD2' ' A' ' 46' ' ' PHE . 2.8 mpt_? -99.8 148.14 24.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.085 -0.507 . . . . 43.44 110.635 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 21.5 m-85 -146.88 125.54 12.55 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.957 0.408 . . . . 64.33 111.322 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -114.1 121.11 42.79 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.957 -0.565 . . . . 74.21 110.551 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -150.87 140.74 21.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.904 0.383 . . . . 74.22 111.272 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.566 ' HB2' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -88.82 125.39 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 64.54 110.843 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.777 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -149.97 165.84 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.44 111.056 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.92 -43.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.83 -0.7 . . . . 74.22 112.429 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.46 121.07 45.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.54 0.209 . . . . 72.15 110.833 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.52 -31.12 9.2 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.411 2.074 . . . . 73.44 112.39 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -64.32 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.917 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -77.56 -44.27 29.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.66 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 50' ' ' MET . 6.9 mt -69.96 -33.87 72.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 75.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.07 -40.45 34.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.685 -0.769 . . . . 74.1 111.759 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.69 -31.03 64.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 71.33 110.859 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.887 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.3 mp -62.24 -46.77 87.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.961 0.41 . . . . 71.53 110.913 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -49.28 77.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 71.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -60.96 -39.19 88.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.743 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 71.12 110.853 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 59' ' ' LEU . 16.1 t -57.49 -29.94 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.017 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -61.34 -29.12 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 71.05 110.867 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -81.87 0.83 37.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.414 . . . . 74.2 111.541 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -79.01 104.21 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 120.901 0.381 . . . . 74.54 110.789 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.28 120.46 6.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 74.1 110.565 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -21.19 24.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 72.24 112.583 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.9 t -87.18 128.14 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 120.778 0.323 . . . . 72.24 111.073 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -77.68 -54.4 6.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 63.24 111.281 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -166.68 169.15 13.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 73.2 111.093 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.2 t -125.07 138.61 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.465 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -135.52 126.39 27.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.149 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 120.95 14.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.9 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.452 -0.362 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.302 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.492 HG11 HD11 ' B' ' 56' ' ' LEU . 22.2 t . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.894 0.378 . . . . 71.32 111.205 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -102.32 163.39 12.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.056 -0.52 . . . . 72.13 110.997 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' B' ' 48' ' ' PHE . 28.8 mt -140.58 131.95 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.29 -0.413 . . . . 75.25 111.546 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -108.52 106.22 16.21 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.005 -0.543 . . . . 65.12 110.585 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.408 HG13 HG22 ' B' ' 72' ' ' VAL . 28.5 t -102.45 113.87 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.309 -0.405 . . . . 54.42 111.552 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.648 ' HB3' HD12 ' B' ' 43' ' ' ILE . 2.4 pt-20 -101.8 124.53 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 75.13 110.604 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -145.34 166.19 26.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.53 111.297 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.432 ' O ' HD23 ' B' ' 14' ' ' LEU . 76.0 mt -59.13 138.24 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -60.73 96.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 73.03 110.927 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.59 167.57 19.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 62.53 110.799 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -86.59 -64.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.926 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -26.91 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' B' ' 8' ' ' ALA . 11.4 tp -54.85 -40.16 69.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.276 -0.42 . . . . 70.11 110.935 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.72 HD22 HG21 ' A' ' 19' ' ' THR . 1.7 tt -59.03 -53.91 53.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.529 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -58.69 -34.2 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 63.11 110.378 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.2 -45.83 89.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 73.14 110.387 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 14' ' ' LEU . 23.7 t -63.37 -44.52 99.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 75.1 110.567 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.641 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.75 -41.09 88.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.635 . . . . 41.42 110.321 179.485 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -68.49 -37.5 80.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 75.32 110.786 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.56 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 70.35 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' B' ' 46' ' ' PHE . 78.8 mt -71.39 -32.5 68.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.821 -0.627 . . . . 75.11 110.641 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.13 -25.85 58.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.043 -0.526 . . . . 75.2 111.154 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -37.42 59.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.945 0.402 . . . . 74.53 110.94 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.34 19.62 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 73.12 110.946 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.07 27.13 7.18 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.29 -0.414 . . . . 75.5 111.19 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.45 92.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 53.34 110.549 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -63.88 100.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.856 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.842 HD12 ' ND1' ' A' ' 12' ' ' HIS . 6.6 mt -87.73 129.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 75.34 110.549 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' B' ' 47' ' ' THR . 78.5 mt -74.58 -31.84 62.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 74.53 109.908 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.425 ' O ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -132.97 131.18 40.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.801 -0.636 . . . . 64.02 110.381 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.542 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . -138.73 122.0 17.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.559 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.9 p -159.65 135.48 8.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.933 0.397 . . . . 63.14 111.65 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.449 ' O ' HG13 ' B' ' 34' ' ' VAL . 12.2 p -131.13 122.8 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.067 -0.515 . . . . 72.43 111.087 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 11.3 t -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.0 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 21.0 p -61.65 134.52 56.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.93 -35.45 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.896 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.31 -80.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.834 -0.698 . . . . 71.54 112.334 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -135.51 -71.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 74.2 110.682 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -98.67 34.13 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.035 0.445 . . . . 65.54 110.369 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.49 138.98 44.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.681 . . . . 72.23 111.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.31 121.82 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 44.34 111.03 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' B' ' 7' ' ' GLU . 0.7 OUTLIER -105.23 131.43 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.285 -0.416 . . . . 62.24 111.238 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.84 154.78 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 61.43 110.658 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.03 117.55 14.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.313 -0.403 . . . . 75.41 110.461 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.546 ' CD2' HD13 ' B' ' 29' ' ' ILE . 56.8 m-85 -124.05 125.38 44.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.26 -0.427 . . . . 74.55 111.507 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.484 ' O ' ' N ' ' B' ' 30' ' ' LEU . 39.0 m -113.17 115.3 28.03 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.909 -0.587 . . . . 74.41 110.046 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.461 ' CE1' HD11 ' B' ' 4' ' ' ILE . 4.5 p90 -132.96 148.99 52.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.944 0.402 . . . . 75.24 111.519 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -95.02 111.98 23.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.788 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 165.73 31.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 70.1 111.089 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.99 15.19 3.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 74.52 112.702 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.65 99.14 23.39 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.578 0.228 . . . . 63.05 110.867 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.16 -25.83 31.1 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.463 2.109 . . . . 52.15 112.43 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 73.14 111.093 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.494 ' O ' HD12 ' B' ' 59' ' ' LEU . 65.6 m80 -77.53 -44.2 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.685 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.677 ' O ' HD23 ' B' ' 56' ' ' LEU . 4.3 tt -72.18 -32.27 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.197 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.51 -41.65 29.37 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.733 -0.746 . . . . 72.44 111.851 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -74.95 -30.77 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 110.75 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.823 ' O ' HG23 ' B' ' 63' ' ' VAL . 4.2 mt -64.54 -49.22 72.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 60.14 110.8 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -49.82 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.931 -0.577 . . . . 72.13 110.727 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -61.94 -33.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 52.41 110.585 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.28 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.43 110.738 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 59' ' ' LEU . 16.7 t -56.05 -32.16 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.938 -0.573 . . . . 53.41 111.125 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -60.1 -31.34 69.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.735 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -77.06 -7.94 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.03 111.421 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' B' ' 63' ' ' VAL . 19.9 t -76.65 104.17 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 120.851 0.358 . . . . 74.32 110.763 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.97 120.76 5.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.539 . . . . 70.54 110.849 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -24.05 19.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 74.01 112.714 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.726 HG11 HG12 ' B' ' 63' ' ' VAL . 70.3 t -80.4 121.95 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.859 0.361 . . . . 75.03 110.959 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.86 -59.04 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 75.41 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.88 169.06 13.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 71.54 111.186 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' B' ' 63' ' ' VAL . 21.8 t -131.5 140.0 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.887 -0.597 . . . . 72.14 111.092 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -135.25 122.98 22.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.296 -0.411 . . . . 71.41 111.199 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -65.38 110.12 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.803 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.6 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.199 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 30' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.834 0.35 . . . . 75.31 111.083 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -82.35 139.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 64.2 111.118 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.639 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -104.63 157.45 17.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.992 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 3' ' ' ALA . 22.4 mm -136.89 131.97 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.27 -0.423 . . . . 71.33 111.399 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.52 114.42 28.52 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.017 -0.538 . . . . 71.15 110.354 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.39 112.87 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.833 0.349 . . . . 64.13 111.705 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -95.99 107.92 20.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.526 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -139.17 169.04 18.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.844 0.354 . . . . 73.52 111.467 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 40' ' ' ARG . 35.2 tp -54.83 153.7 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 53.54 111.045 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.695 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 21.7 p-10 -66.57 79.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 71.14 111.246 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.57 133.92 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.639 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.748 ' HB2' HD12 ' B' ' 29' ' ' ILE . 2.2 p-80 -68.02 -13.33 62.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.306 . . . . 72.33 111.187 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -29.36 65.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 71.35 110.831 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.655 ' HG ' ' HB1' ' A' ' 8' ' ' ALA . 3.8 mm? -65.51 -60.27 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 72.12 110.804 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -57.0 -37.26 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.605 . . . . 73.23 110.698 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.45 ' HB3' HG22 ' B' ' 19' ' ' THR . 6.6 p -67.13 -41.0 86.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.529 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 74.11 110.563 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.6 t -67.64 -38.24 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 63.45 110.679 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.808 ' HA ' HD12 ' A' ' 22' ' ' LEU . 75.7 m -65.81 -37.39 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.547 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -60.5 -40.49 91.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.982 -0.554 . . . . 73.3 110.679 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.4 88.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 19' ' ' THR . 12.8 mt -65.04 -48.71 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 75.54 110.826 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.09 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 73.12 111.105 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.31 -30.89 68.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.31 110.935 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -102.88 21.68 15.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.164 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.94 39.14 29.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.039 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.41 107.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 63.02 111.111 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.29 126.81 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 63.02 110.966 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.31 131.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.177 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.914 ' HB2' HG23 ' A' ' 47' ' ' THR . 70.5 mt -75.14 -36.66 61.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.873 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -171.12 164.87 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.51 111.039 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -159.51 146.84 16.95 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.267 -0.424 . . . . 42.04 111.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -163.59 138.63 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 71.53 110.852 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.535 HG11 HD22 ' A' ' 15' ' ' LEU . 14.2 p -130.94 143.12 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.423 -0.353 . . . . 74.4 111.421 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -136.76 154.03 50.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.22 110.877 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 p -75.89 114.06 14.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 71.24 111.092 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.759 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.09 -38.45 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 63.51 111.253 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.33 74.59 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.493 -0.86 . . . . 40.34 112.928 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 63.17 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 74.35 111.593 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -92.56 31.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 74.31 111.232 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 37' ' ' SER . 11.6 t -137.82 139.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 74.23 110.957 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -134.71 115.76 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 74.01 111.418 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.759 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.5 mt -89.93 109.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 70.43 110.707 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.81 141.67 30.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.839 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -143.84 121.96 12.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.099 -0.501 . . . . 43.44 110.459 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 18.7 p90 -143.47 139.13 29.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.983 0.421 . . . . 64.33 111.629 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.914 HG23 ' HB2' ' A' ' 30' ' ' LEU . 10.0 t -106.46 137.86 43.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.864 -0.607 . . . . 74.21 110.595 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.93 169.67 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 74.22 111.061 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.73 165.7 14.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.87 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.48 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -149.95 165.76 31.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.976 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.86 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.558 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' HD23 ' A' ' 56' ' ' LEU . 7.0 m-20 -100.86 147.15 33.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 72.15 110.907 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.49 -27.78 10.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.534 2.156 . . . . 73.44 112.434 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -62.17 -36.58 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -43.23 33.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 71.35 110.613 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 50' ' ' MET . 4.1 mm? -69.32 -33.99 73.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 75.0 110.093 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.05 -40.96 33.49 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.705 -0.76 . . . . 74.1 111.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -74.07 -32.57 63.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 71.33 110.681 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.9 tp -63.33 -47.57 81.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.822 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -47.15 86.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 71.12 110.768 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -62.35 -38.04 88.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.44 110.637 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.28 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.783 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 59' ' ' LEU . 16.7 t -57.51 -31.77 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.042 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -62.08 -27.7 69.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.05 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -80.57 -0.99 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 74.2 111.477 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 63' ' ' VAL . 24.4 t -75.81 104.16 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.926 0.393 . . . . 74.54 110.695 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' O ' HD11 ' A' ' 14' ' ' LEU . 2.1 tp10 -51.63 119.98 4.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 74.1 110.832 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.589 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.13 -23.3 21.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.587 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 8' ' ' ALA . 44.2 t -85.52 117.53 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.861 0.362 . . . . 72.24 111.098 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.05 -50.83 37.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.031 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.73 168.88 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 73.2 111.219 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG21 HG11 ' A' ' 63' ' ' VAL . 23.5 t -131.53 140.21 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 73.25 111.035 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -135.41 122.25 21.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.362 -0.381 . . . . 63.23 111.217 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.51 111.21 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.863 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 16.9 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 75.21 111.167 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.736 0.303 . . . . 71.32 111.279 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -126.59 157.53 38.62 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.937 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.65 HD11 ' HE2' ' B' ' 48' ' ' PHE . 9.3 mt -132.87 132.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 75.25 111.431 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.72 104.73 13.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.168 -0.469 . . . . 65.12 110.501 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.457 HG13 HG22 ' B' ' 72' ' ' VAL . 21.4 t -102.83 112.91 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 120.868 0.365 . . . . 54.42 111.648 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 69' ' ' VAL . 37.4 tt0 -93.43 134.16 35.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.546 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.767 ' HB1' HD23 ' B' ' 14' ' ' LEU . . . -159.27 160.25 35.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 75.53 111.39 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.89 153.73 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 73.32 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -70.11 65.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.072 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -112.98 129.62 56.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 62.53 110.944 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -28.31 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 73.15 111.028 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -29.5 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.938 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.767 HD23 ' HB1' ' B' ' 8' ' ' ALA . 1.8 mp -59.16 -51.53 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 70.11 110.943 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.4 HD13 HG21 ' B' ' 34' ' ' VAL . 50.5 tp -56.44 -49.51 74.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 73.21 110.565 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -61.66 -35.08 76.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.608 . . . . 63.11 110.217 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.671 ' OD2' HG13 ' B' ' 66' ' ' VAL . 5.4 t0 -62.3 -44.7 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.298 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 14' ' ' LEU . 41.9 t -63.8 -51.87 64.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 75.1 110.592 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 16' ' ' SER . 0.2 OUTLIER -62.35 -32.58 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 41.42 110.142 179.381 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -45.89 74.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.056 -0.52 . . . . 75.32 110.551 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.49 -43.99 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 70.35 110.453 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.719 HD23 HD11 ' B' ' 59' ' ' LEU . 17.3 mt -77.14 -27.59 53.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 75.11 110.329 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -66.41 -33.14 75.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 75.2 110.941 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.66 -30.71 22.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.809 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLU . . . . . 0.547 ' HG3' ' CE1' ' B' ' 55' ' ' HIS . 5.7 mm-40 -111.07 -13.35 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.972 -0.558 . . . . 73.12 110.985 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt 67.08 38.79 3.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.877 0.37 . . . . 75.5 110.998 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.495 HG11 ' CE1' ' B' ' 48' ' ' PHE . 32.0 t -60.92 107.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 53.34 110.493 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.87 102.04 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.104 0.478 . . . . 74.34 110.829 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.748 HD12 ' HB2' ' A' ' 12' ' ' HIS . 7.2 mt -85.48 133.21 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.662 -0.699 . . . . 75.34 110.308 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 30' ' ' LEU . 28.3 mt -74.44 -25.2 59.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 74.53 110.686 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.468 ' H ' HG22 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -150.91 131.4 13.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.633 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.491 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . -136.21 121.57 19.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.51 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -157.41 142.71 17.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.926 0.393 . . . . 63.14 111.648 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.0 p -131.16 136.91 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.084 -0.507 . . . . 72.43 111.252 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.3 p -136.62 153.75 50.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.119 -0.492 . . . . 74.23 110.932 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.9 p -78.84 123.65 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.42 110.941 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.788 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -64.58 -67.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.976 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.66 -99.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 71.54 112.542 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.521 ' O ' HG23 ' B' ' 41' ' ' VAL . 2.9 t70 -105.84 110.32 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 74.2 110.928 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.77 39.53 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.6 t -137.18 136.66 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.172 -0.467 . . . . 72.23 111.17 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.13 144.04 50.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 44.34 111.15 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.788 HD11 ' OG ' ' B' ' 37' ' ' SER . 25.8 mt -130.06 113.85 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.258 -0.428 . . . . 62.24 111.275 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 5.1 p -97.96 147.67 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.43 110.714 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -133.78 121.07 21.33 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.327 -0.397 . . . . 75.41 110.345 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.462 ' HB3' HG21 ' B' ' 29' ' ' ILE . 63.2 m-85 -125.06 125.25 43.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.986 0.422 . . . . 74.55 111.53 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 55.9 m -112.47 115.21 28.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.888 -0.596 . . . . 74.41 109.7 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.65 ' HE2' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -147.53 162.09 39.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.096 0.474 . . . . 75.24 111.784 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 152.05 22.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.708 -0.678 . . . . 73.22 110.526 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.566 ' HE1' ' HB3' ' B' ' 55' ' ' HIS . 0.4 OUTLIER -149.96 148.38 29.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.929 0.395 . . . . 70.1 111.26 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.33 -36.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.806 -0.711 . . . . 74.52 112.346 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.39 128.53 28.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.536 0.208 . . . . 63.05 110.823 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.93 -12.54 21.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.509 2.14 . . . . 52.15 112.632 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.01 -43.32 79.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 73.14 111.112 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.566 ' HB3' ' HE1' ' B' ' 50' ' ' MET . 2.4 t-80 -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.576 ' O ' HD23 ' B' ' 56' ' ' LEU . 1.3 tt -71.72 -32.43 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 53.33 110.281 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.55 -39.94 28.72 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.674 -0.774 . . . . 72.44 111.928 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -78.26 -29.36 48.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.729 0.299 . . . . 73.3 110.878 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 63' ' ' VAL . 64.0 tp -64.48 -46.29 83.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.903 0.382 . . . . 60.14 110.916 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.426 HD13 HD23 ' B' ' 56' ' ' LEU . 3.8 mp -58.98 -51.25 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.962 -0.563 . . . . 72.13 110.727 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.39 -37.08 82.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 52.41 110.593 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.09 96.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 62.43 110.683 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.4 t -56.22 -32.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 53.41 111.099 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -59.67 -30.43 68.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.813 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -75.03 -7.15 52.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 73.03 111.368 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.671 HG13 ' OD2' ' B' ' 17' ' ' ASP . 27.4 t -74.98 104.17 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 120.832 0.348 . . . . 74.32 110.632 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -51.19 120.09 4.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.057 -0.52 . . . . 70.54 110.89 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.402 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.2 -24.16 19.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 74.01 112.777 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' B' ' 8' ' ' ALA . 60.7 t -80.85 121.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 75.03 111.01 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -68.65 -58.53 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.066 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.86 169.07 13.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 71.54 111.132 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.457 HG22 HG13 ' B' ' 6' ' ' VAL . 21.4 t -127.29 131.73 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.056 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.41 124.22 23.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.329 -0.396 . . . . 71.41 111.042 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.56 121.8 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.824 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 8.0 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 70.32 111.176 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 1' ' ' LEU . 7.5 tt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.881 0.372 . . . . 75.31 111.181 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 t -82.3 138.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 64.2 111.248 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -105.6 160.93 14.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.961 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 48' ' ' PHE . 20.8 mt -135.86 132.03 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.332 -0.395 . . . . 71.33 111.494 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -106.35 104.81 14.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.545 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.443 HG13 HG22 ' A' ' 72' ' ' VAL . 21.2 t -105.01 112.74 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.376 -0.374 . . . . 64.13 111.548 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.38 126.45 38.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.447 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.832 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -156.5 167.61 29.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.389 . . . . 73.52 111.602 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.872 HD13 ' O ' ' A' ' 40' ' ' ARG . 4.0 mm? -55.17 153.72 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 53.54 111.061 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.37 81.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 71.14 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -149.49 125.89 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.799 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' B' ' 26' ' ' LYS . 0.3 OUTLIER -58.84 -27.67 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.404 -0.362 . . . . 72.33 111.073 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.257 -0.429 . . . . 71.35 111.09 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.832 HD13 ' HB1' ' A' ' 8' ' ' ALA . 68.0 mt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.827 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.7 mm? -62.92 -41.62 99.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.542 . . . . 73.23 110.607 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -65.7 -38.35 88.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.887 -0.597 . . . . 64.41 110.509 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -42.73 88.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.642 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 14' ' ' LEU . 31.2 t -66.22 -41.28 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 63.45 110.89 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 m -67.13 -37.31 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 72.25 110.619 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -65.39 -38.38 89.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 73.3 110.791 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.6 98.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 74.43 110.966 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 27' ' ' VAL . 71.5 mt -67.64 -46.78 71.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.882 -0.599 . . . . 75.54 110.867 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.74 -28.7 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.119 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.49 -31.12 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 72.31 110.949 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' HB3' HG23 ' A' ' 27' ' ' VAL . 3.3 tt0 -106.22 25.69 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 72.53 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.55 30.57 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 53.02 111.102 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 25' ' ' GLU . 26.3 t -79.22 96.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.09 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 117.1 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 63.02 110.913 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.83 130.77 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.025 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -40.55 59.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.743 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.935 ' CB ' HG22 ' B' ' 35' ' ' THR . 1.7 p -173.2 164.94 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.507 . . . . 72.51 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.37 150.84 12.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 42.04 111.271 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 24.4 p -163.76 138.62 6.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 71.53 110.824 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.781 HG23 ' C ' ' A' ' 43' ' ' ILE . 11.7 p -130.95 141.14 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.392 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 145.41 51.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.838 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 36' ' ' THR . 8.9 t -66.52 106.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.24 111.037 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.785 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -58.17 -37.69 75.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 63.51 110.949 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.671 ' N ' HG23 ' A' ' 41' ' ' VAL . . . -178.69 -113.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.644 -0.789 . . . . 40.34 112.6 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.6 p-10 -91.75 113.26 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 74.35 111.058 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.872 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER 53.07 35.15 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.05 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.671 HG23 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -137.53 128.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 74.23 111.046 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.66 119.74 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.01 111.202 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.785 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.8 mt -89.72 113.12 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 70.43 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.585 ' N ' HG23 ' A' ' 34' ' ' VAL . 3.1 t -97.99 137.61 36.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 73.14 110.96 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -123.41 120.38 32.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 43.44 110.492 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.95 156.69 19.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.943 0.401 . . . . 64.33 111.366 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.581 HG23 HD21 ' A' ' 1' ' ' LEU . 35.2 m -140.47 116.64 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 74.21 110.463 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.3 p90 -150.73 132.44 14.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.064 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.85 116.0 26.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.179 -0.464 . . . . 64.54 110.918 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.2 mmt -149.97 165.85 31.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.985 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.75 -47.46 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.491 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 1.3 m-20 -57.78 110.19 2.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.611 0.244 . . . . 72.15 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 82.7 Cg_endo -77.81 -0.86 11.05 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.421 2.081 . . . . 73.44 112.896 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -76.49 -41.43 47.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 72.32 111.451 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 30.8 p80 -77.32 -44.39 29.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 71.35 110.932 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 53' ' ' PRO . 3.5 pp -73.77 -28.65 61.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.984 0.421 . . . . 75.0 110.089 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.64 -46.61 18.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.766 -0.73 . . . . 74.1 111.798 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.2 -30.9 62.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.791 0.329 . . . . 71.33 110.658 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.1 mt -59.34 -39.24 82.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.758 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD22 ' HD2' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -58.74 -51.3 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 71.12 110.697 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -61.42 -39.75 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.442 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.53 87.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 71.12 110.653 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 59' ' ' LEU . 39.8 t -56.06 -30.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 74.43 110.835 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -58.38 -32.96 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 71.05 110.726 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -9.37 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 74.2 111.276 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 63' ' ' VAL . 22.0 t -74.18 104.1 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.85 0.357 . . . . 74.54 110.714 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.61 120.19 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 74.1 110.819 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -23.35 21.2 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.783 -0.722 . . . . 72.24 112.485 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.744 HG11 HG12 ' A' ' 63' ' ' VAL . 52.0 t -85.54 119.01 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.847 0.356 . . . . 72.24 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -72.01 -53.23 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 63.24 111.142 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -166.73 169.17 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.134 -0.485 . . . . 73.2 111.245 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 63' ' ' VAL . 22.0 t -130.55 136.33 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.092 -0.504 . . . . 73.25 111.243 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -135.39 124.31 24.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.316 -0.402 . . . . 63.23 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HD2' HD22 ' A' ' 60' ' ' LEU . 3.9 mpp_? -65.39 114.41 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.823 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.6 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.21 111.31 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 36.0 t . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.85 0.357 . . . . 71.32 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.838 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -102.43 156.99 17.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.219 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.838 HD13 ' O ' ' B' ' 3' ' ' ALA . 16.3 mm -137.48 132.18 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.213 -0.449 . . . . 75.25 111.274 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.63 108.87 20.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.588 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -102.56 112.88 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.273 -0.421 . . . . 54.42 111.355 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.525 ' O ' HG13 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -96.5 137.76 35.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.698 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.49 163.01 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 75.53 111.205 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.67 ' O ' HD12 ' B' ' 14' ' ' LEU . 6.2 tp -59.27 150.88 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.836 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.34 104.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 73.03 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.404 ' O ' HD13 ' B' ' 15' ' ' LEU . 0.6 OUTLIER -149.95 155.93 40.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 62.53 110.848 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -87.81 -27.88 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 73.15 111.038 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.24 -28.63 23.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 73.14 111.068 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.67 HD12 ' O ' ' B' ' 9' ' ' LEU . 14.2 mt -55.22 -38.29 68.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 70.11 110.95 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.561 ' HG ' HG21 ' B' ' 34' ' ' VAL . 8.4 mp -59.09 -52.25 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.319 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t -60.07 -35.14 74.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 63.11 110.175 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.1 -45.15 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 73.14 110.436 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 14' ' ' LEU . 43.6 t -63.19 -50.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 75.1 110.508 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -32.03 71.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 41.42 110.177 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -65.38 -47.88 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.935 -0.575 . . . . 75.32 110.533 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.46 69.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.595 . . . . 70.35 110.476 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.43 HD13 HD11 ' B' ' 29' ' ' ILE . 52.1 mt -75.43 -30.32 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.741 -0.663 . . . . 75.11 110.318 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.19 72.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.014 -0.539 . . . . 75.2 111.044 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.3 -35.81 29.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.073 0.464 . . . . 74.53 110.577 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.26 -18.4 14.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 73.12 110.592 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 69.63 41.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 75.5 111.071 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.457 ' N ' ' CE1' ' A' ' 12' ' ' HIS . 35.5 t -67.2 109.2 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 53.34 109.997 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -63.83 100.43 0.3 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 74.34 111.147 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' B' ' 46' ' ' PHE . 6.8 mt -87.44 128.66 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.701 -0.681 . . . . 75.34 109.906 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 3.3 mt -74.45 -22.25 59.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.506 -0.315 . . . . 74.53 110.967 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -146.08 133.13 20.31 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.343 -0.39 . . . . 64.02 110.92 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.498 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -133.59 121.57 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 74.31 110.094 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 54.5 p -155.91 129.49 8.38 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.661 -0.416 . . . . 63.14 111.942 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.561 HG21 ' HG ' ' B' ' 15' ' ' LEU . 7.1 p -131.18 128.94 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.023 -0.535 . . . . 72.43 111.057 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.935 HG22 ' CB ' ' A' ' 31' ' ' SER . 33.0 p -136.68 154.01 50.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.941 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.6 p -76.78 117.96 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.971 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.618 ' OG ' HD11 ' B' ' 43' ' ' ILE . 2.9 t -59.51 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.036 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.654 ' N ' HG23 ' B' ' 41' ' ' VAL . . . -179.47 -113.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 71.54 112.704 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.581 ' O ' HG22 ' B' ' 41' ' ' VAL . 16.2 m-20 -86.38 111.6 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 74.2 111.062 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 50.53 36.74 14.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 65.54 111.231 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.654 HG23 ' N ' ' B' ' 38' ' ' GLY . 0.1 OUTLIER -137.44 124.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 72.23 111.179 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.99 144.21 49.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 44.34 110.977 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.618 HD11 ' OG ' ' B' ' 37' ' ' SER . 16.4 mt -130.11 135.57 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.325 -0.398 . . . . 62.24 111.515 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.71 154.18 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 61.43 110.338 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.548 ' HD3' HG21 ' B' ' 75' ' ' VAL . 9.0 mmm-85 -138.84 117.29 12.03 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.804 0.335 . . . . 75.41 110.568 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' B' ' 29' ' ' ILE . 62.4 m-85 -124.93 125.34 43.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.993 0.425 . . . . 74.55 111.375 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 96.8 m -113.86 115.14 27.25 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.865 -0.607 . . . . 74.41 109.878 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -133.93 171.47 14.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.03 0.443 . . . . 75.24 111.472 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 161.2 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 73.22 110.564 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.595 ' HG3' HD12 ' B' ' 56' ' ' LEU . 2.0 ttt -109.0 155.11 21.27 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.965 0.412 . . . . 70.1 111.367 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.92 -65.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.938 -0.649 . . . . 74.52 112.234 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.42 142.23 24.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.232 . . . . 63.05 110.789 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.28 -32.1 5.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.531 2.154 . . . . 52.15 112.383 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' B' ' 58' ' ' HIS . 0.4 OUTLIER -65.38 -29.33 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 73.14 111.073 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -77.42 -44.25 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.772 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.623 ' O ' HD23 ' B' ' 56' ' ' LEU . 4.1 tt -73.16 -31.3 64.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.405 . . . . 53.33 110.222 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.03 -41.89 26.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.781 -0.723 . . . . 72.44 111.946 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' B' ' 54' ' ' LYS . 9.4 m-70 -77.49 -28.78 52.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.748 0.309 . . . . 73.3 110.898 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.852 ' O ' HG23 ' B' ' 63' ' ' VAL . 11.9 mt -63.95 -50.34 69.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.948 0.404 . . . . 60.14 110.893 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.6 mt -58.92 -45.56 90.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 72.13 110.8 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.91 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 52.41 110.709 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.31 96.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.864 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.852 HG23 ' O ' ' B' ' 59' ' ' LEU . 14.5 t -58.2 -30.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 53.41 110.908 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -61.96 -27.1 68.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 74.12 110.942 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -86.03 8.3 21.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.266 -0.424 . . . . 73.03 111.586 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 63' ' ' VAL . 23.4 t -83.55 104.18 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.845 0.355 . . . . 74.32 110.768 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.6 120.25 6.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.041 -0.527 . . . . 70.54 110.813 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.07 -24.04 19.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.782 -0.723 . . . . 74.01 112.766 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.525 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.4 t -80.67 121.48 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-O 120.795 0.331 . . . . 75.03 111.078 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -70.23 -52.34 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.092 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -166.77 169.17 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.961 -0.563 . . . . 71.54 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.598 HG21 HG11 ' B' ' 63' ' ' VAL . 23.7 t -131.28 134.89 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.061 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.4 131.23 36.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.428 -0.351 . . . . 71.41 111.254 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.3 117.23 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.727 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.548 HG21 ' HD3' ' B' ' 45' ' ' ARG . 18.7 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.369 -0.378 . . . . 70.32 111.21 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 1' ' ' LEU . 2.6 pp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.856 0.36 . . . . 75.31 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.24 149.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 64.2 111.295 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.807 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -121.47 169.54 10.54 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.832 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 3' ' ' ALA . 11.2 mm -139.38 132.03 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.333 -0.394 . . . . 71.33 111.473 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -103.41 104.75 14.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.369 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.7 112.76 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 120.925 0.393 . . . . 64.13 111.536 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 127.21 38.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.0 -0.546 . . . . 72.24 110.362 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -159.34 167.91 27.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 73.52 111.492 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.611 HD23 ' CA ' ' A' ' 68' ' ' GLY . 0.8 OUTLIER -54.36 152.67 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 53.54 110.999 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.565 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 10.2 t0 -64.59 81.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.14 111.292 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -153.71 129.85 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.63 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.665 ' NE2' HG22 ' B' ' 19' ' ' THR . 0.1 OUTLIER -60.99 -27.24 68.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.465 -0.334 . . . . 72.33 110.564 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -26.01 23.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.385 -0.371 . . . . 71.35 111.14 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.6 mm? -68.2 -61.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 72.12 110.925 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' B' ' 32' ' ' ALA . 0.9 OUTLIER -58.76 -32.54 69.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.006 -0.543 . . . . 73.23 110.459 179.666 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -67.39 -43.93 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.565 . . . . 64.41 110.276 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -63.07 -41.47 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.282 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 24.0 t -66.44 -38.13 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 63.45 110.806 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -66.05 -40.55 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.041 -0.527 . . . . 72.25 110.647 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -38.87 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 73.3 110.795 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -43.36 90.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.15 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.27 -45.34 84.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 75.54 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.68 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 73.12 111.07 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -60.39 -31.27 70.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 72.31 110.952 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.82 22.45 14.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.043 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 56.68 30.02 16.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 53.02 111.139 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -80.25 101.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 63.02 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -64.8 122.17 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.965 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.667 HG21 ' HE1' ' A' ' 46' ' ' PHE . 22.3 mt -96.43 130.06 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.3 mt -81.01 -34.66 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 72.1 110.948 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.15 171.51 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 72.51 110.975 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . . . -166.39 146.88 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 42.04 111.218 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.409 ' HG ' ' HB2' ' B' ' 33' ' ' SER . 1.5 m -163.68 140.24 6.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 71.53 110.865 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.74 HG12 ' CB ' ' A' ' 44' ' ' SER . 13.4 m -126.02 146.41 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.864 0.364 . . . . 74.4 111.472 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.857 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.9 p -79.98 109.17 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.975 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB2' HD11 ' A' ' 43' ' ' ILE . 1.1 t -58.3 -35.85 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 63.51 111.05 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 165.73 -93.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.517 -0.849 . . . . 40.34 112.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' O ' HG22 ' A' ' 41' ' ' VAL . 12.6 t70 -102.38 112.38 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 74.35 111.452 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.25 36.62 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.56 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 39' ' ' ASP . 2.2 m -137.56 121.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 74.23 111.047 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -121.19 120.17 34.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.158 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 ' HB2' ' A' ' 37' ' ' SER . 19.5 mt -93.02 119.66 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.106 -0.497 . . . . 70.43 111.185 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.74 ' CB ' HG12 ' A' ' 34' ' ' VAL . 1.4 m -103.83 141.63 35.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.788 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ALA . 61.8 mtp180 -124.73 117.21 23.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.176 -0.465 . . . . 43.44 110.65 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.667 ' HE1' HG21 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -110.74 125.55 53.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.33 -0.395 . . . . 64.33 111.321 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 m -112.49 115.27 28.4 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.073 -0.512 . . . . 74.21 110.567 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -150.93 171.05 17.88 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.357 -0.383 . . . . 74.22 111.238 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -88.81 165.78 14.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 64.54 110.809 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -149.9 148.33 28.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.258 -0.428 . . . . 73.44 111.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.53 -45.9 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.713 . . . . 74.22 112.458 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.0 143.37 26.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.714 0.292 . . . . 72.15 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.33 -27.31 8.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.554 2.169 . . . . 73.44 112.384 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -34.6 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.006 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' HD12 ' A' ' 59' ' ' LEU . 25.0 m-70 -77.56 -44.27 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.774 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.55 -32.98 64.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 75.0 110.246 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.12 -39.68 31.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.759 -0.734 . . . . 74.1 111.878 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.76 -30.98 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 71.33 110.75 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.9 ' O ' HG23 ' A' ' 63' ' ' VAL . 5.4 mt -61.35 -44.71 96.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 71.53 110.761 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.91 -45.93 90.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 71.12 110.706 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.83 -42.13 98.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.44 110.65 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 71.12 110.824 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 59' ' ' LEU . 25.7 t -57.85 -28.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 74.43 110.868 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -62.4 -29.42 70.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 71.05 110.8 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -80.63 -0.66 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 74.2 111.426 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 63' ' ' VAL . 23.7 t -75.56 104.09 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.835 0.35 . . . . 74.54 110.834 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -51.68 120.18 4.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.581 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.611 ' CA ' HD23 ' A' ' 9' ' ' LEU . . . 110.28 -20.98 25.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.661 -0.781 . . . . 72.24 112.626 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.542 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 60.3 t -86.88 126.27 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.874 0.368 . . . . 72.24 111.114 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -79.51 -48.17 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 63.24 111.314 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -166.68 166.48 15.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.2 111.111 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.604 HG21 ' CG1' ' A' ' 63' ' ' VAL . 29.1 t -131.55 134.78 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.254 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -135.47 122.56 21.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.3 -0.409 . . . . 63.23 110.981 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.49 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 75.24 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.695 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 20.8 t . . . . . 0 N--CA 1.454 -0.275 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.181 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.401 ' CG1' ' CG ' ' B' ' 74' ' ' ARG . 32.6 t . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.829 0.347 . . . . 71.32 111.175 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.426 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -106.38 159.73 15.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.835 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.623 HD12 ' CZ ' ' B' ' 48' ' ' PHE . 32.7 mt -146.67 132.06 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.084 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.583 ' O ' HG13 ' B' ' 72' ' ' VAL . 1.4 tt0 -104.54 135.46 45.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.094 -0.503 . . . . 65.12 110.855 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 t -118.47 112.84 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.238 -0.437 . . . . 54.42 111.08 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.642 ' O ' HG13 ' B' ' 69' ' ' VAL . 4.2 tt0 -94.19 136.73 34.16 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.903 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.37 147.47 17.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.53 111.192 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' B' ' 11' ' ' ARG . 2.8 pp -58.98 140.96 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 102.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.986 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -153.39 161.37 42.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.836 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 12' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' B' ' 13' ' ' ARG . 18.8 p-80 -81.79 146.3 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.948 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' HIS . 3.9 ttm-85 84.71 -20.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.967 -0.56 . . . . 73.14 111.73 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.74 HD21 ' O ' ' B' ' 67' ' ' GLU . 6.1 mt -63.83 -51.82 62.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.98 0.419 . . . . 70.11 110.795 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.728 HD22 HG21 ' B' ' 34' ' ' VAL . 43.9 mt -57.25 -51.68 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.979 -0.555 . . . . 73.21 110.548 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.39 -34.77 72.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.79 -0.641 . . . . 63.11 110.445 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.55 -45.69 89.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 73.14 110.425 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 14' ' ' LEU . 44.0 t -62.87 -48.09 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.641 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.665 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -62.66 -36.87 84.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 41.42 110.204 179.542 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.04 -43.89 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 75.32 110.672 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.01 75.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 70.35 110.643 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.65 -31.73 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.75 -0.659 . . . . 75.11 110.544 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.403 ' HB2' ' HE1' ' A' ' 12' ' ' HIS . . . -71.88 -26.58 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 75.2 111.105 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.43 -28.23 12.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 74.53 111.13 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -120.86 18.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.12 111.214 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 50.03 31.5 4.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.472 -0.331 . . . . 75.5 111.234 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.58 98.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 53.34 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -64.05 106.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.876 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.642 HD12 ' CD2' ' A' ' 12' ' ' HIS . 4.4 mt -94.85 129.44 45.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 75.34 110.55 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 47' ' ' THR . 85.4 mt -74.71 -29.33 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.366 . . . . 74.53 110.417 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -136.65 131.43 33.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.876 179.493 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.531 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -142.28 121.42 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.545 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.409 ' HB2' ' HG ' ' A' ' 33' ' ' SER . 90.8 p -163.58 141.34 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.903 0.382 . . . . 63.14 111.737 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.728 HG21 HD22 ' B' ' 15' ' ' LEU . 11.1 p -131.19 133.59 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.969 -0.559 . . . . 72.43 110.969 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.5 t -136.58 150.92 48.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.931 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 128.92 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.855 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.508 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -66.72 -67.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.823 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.61 -79.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 71.54 112.45 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.6 -66.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.794 0.33 . . . . 74.2 110.762 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -97.49 37.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.54 110.676 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.3 117.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 72.23 111.234 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -110.0 142.39 41.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 44.34 111.059 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.508 HD11 ' OG ' ' B' ' 37' ' ' SER . 25.0 mt -130.11 116.73 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.264 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 4.8 t -104.98 152.26 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.76 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -138.85 118.43 12.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.37 -0.377 . . . . 75.41 110.469 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' B' ' 31' ' ' SER . 70.7 m-85 -126.71 125.3 41.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.963 0.411 . . . . 74.55 111.399 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 30' ' ' LEU . 23.4 m -112.34 115.26 28.46 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.94 -0.573 . . . . 74.41 110.006 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.623 ' CZ ' HD12 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -129.24 155.11 46.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 75.24 111.27 -179.365 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -125.5 112.0 15.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.936 -0.575 . . . . 73.22 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mtp -150.05 165.77 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 70.1 110.991 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.37 25.96 8.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.808 -0.71 . . . . 74.52 112.514 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -106.36 104.47 50.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.494 0.188 . . . . 63.05 110.871 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -34.51 24.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.461 2.107 . . . . 52.15 112.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.31 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 73.14 110.883 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -44.27 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.62 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.58 -33.35 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 53.33 110.075 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.32 -42.37 28.32 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.701 -0.761 . . . . 72.44 111.799 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -72.39 -26.31 61.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.675 0.274 . . . . 73.3 110.878 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.2 OUTLIER -59.56 -46.15 89.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.913 0.387 . . . . 60.14 110.975 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -49.6 76.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.029 -0.532 . . . . 72.13 110.798 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.59 -35.61 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 52.41 110.673 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.35 77.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 62.43 110.743 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.815 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.8 t -57.24 -31.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.89 -0.596 . . . . 53.41 110.939 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.92 -29.54 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.776 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -80.91 0.04 37.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.535 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.0 t -82.31 104.26 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-O 120.917 0.389 . . . . 74.32 110.661 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.74 ' O ' HD21 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -54.16 120.04 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 70.54 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.08 19.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 74.01 112.906 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.642 HG13 ' O ' ' B' ' 7' ' ' GLU . 59.5 t -78.03 121.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 120.914 0.388 . . . . 75.03 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -70.6 -56.22 7.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.519 . . . . 75.41 111.206 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -166.74 169.15 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.172 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.583 HG13 ' O ' ' B' ' 5' ' ' GLN . 16.4 t -127.03 141.26 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.018 -0.537 . . . . 72.14 111.035 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -135.52 130.41 34.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.91 0.386 . . . . 71.41 111.507 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.401 ' CG ' ' CG1' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -68.88 111.07 4.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.682 179.589 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 12.7 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 70.32 111.183 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 49' ' ' GLU . 11.5 mt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.79 0.329 . . . . 75.31 111.247 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.536 HG13 ' NE ' ' A' ' 74' ' ' ARG . 34.0 t -82.28 138.26 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 64.2 111.14 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.65 171.2 7.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.048 -0.524 . . . . 74.21 111.125 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.72 HD11 ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt -139.92 138.99 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.327 -0.397 . . . . 71.33 111.429 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -110.86 106.8 16.07 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.084 -0.507 . . . . 71.15 110.593 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 72' ' ' VAL . 27.4 t -104.51 112.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.293 -0.412 . . . . 64.13 111.28 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -91.89 129.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.963 -0.562 . . . . 72.24 110.528 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.84 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.32 163.4 35.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 73.52 111.338 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.6 tp -50.67 148.77 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 53.54 111.152 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -65.5 82.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.196 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -153.64 120.45 5.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.787 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.942 ' CD2' HD12 ' B' ' 29' ' ' ILE . 27.7 t-80 -57.66 -26.3 61.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.742 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -57.54 -37.98 73.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 71.35 110.524 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.88 ' O ' HG23 ' A' ' 18' ' ' VAL . 82.6 mt -64.67 -40.36 95.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 72.12 110.616 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 12' ' ' HIS . 3.8 mm? -61.62 -50.26 73.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 73.23 110.472 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.0 t -60.81 -40.36 92.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 64.41 110.442 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.34 -41.21 98.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.567 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 14' ' ' LEU . 38.3 t -68.44 -37.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 63.45 110.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.468 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.2 m -67.11 -37.11 83.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.52 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -62.12 -40.26 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 73.3 110.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 74.43 110.879 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 59' ' ' LEU . 23.6 mt -65.59 -54.35 29.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.815 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.067 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.5 -29.97 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.872 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 23.75 13.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 72.53 111.125 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 59.45 47.91 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 53.02 110.935 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 22' ' ' LEU . 30.0 t -102.79 114.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 63.02 111.022 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -88.65 119.32 29.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.02 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.34 126.15 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.106 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.21 -31.1 60.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.753 ' OG ' HG22 ' B' ' 35' ' ' THR . 0.3 OUTLIER -171.27 166.72 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 72.51 111.083 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -168.07 149.26 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 42.04 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 16.9 t -163.61 135.28 4.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.973 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.46 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.2 p -122.5 141.33 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.931 0.396 . . . . 74.4 111.499 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -136.57 132.44 35.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.02 -0.536 . . . . 73.22 110.818 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 t -63.38 111.7 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.113 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.459 ' HB2' HD11 ' A' ' 43' ' ' ILE . 6.2 t -63.2 -76.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 63.51 110.827 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.75 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -105.67 -90.95 2.2 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 40.34 112.493 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -123.77 -72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.793 0.33 . . . . 74.35 110.966 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -97.71 32.94 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 74.31 110.673 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -137.58 121.14 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.701 . . . . 74.23 111.088 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.57 ' HB2' ' OD2' ' A' ' 10' ' ' ASP . . . -119.3 125.05 48.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.333 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.46 ' C ' HG23 ' A' ' 34' ' ' VAL . 8.7 mt -89.84 109.27 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 70.43 110.819 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.5 t -98.0 137.77 36.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.14 111.052 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -116.99 148.93 41.03 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.102 -0.499 . . . . 43.44 110.621 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 80.5 m-85 -147.08 125.42 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 64.33 111.239 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.6 m -111.25 116.41 30.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.885 -0.598 . . . . 74.21 110.496 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.72 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -150.98 139.14 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 74.22 111.189 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 1' ' ' LEU . 26.3 mt-10 -88.88 125.23 34.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.154 -0.476 . . . . 64.54 110.929 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 6.9 mmm -149.86 165.43 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 73.44 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 -40.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.779 -0.724 . . . . 74.22 112.607 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.01 107.96 1.0 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.529 0.204 . . . . 72.15 111.137 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.04 -34.45 16.96 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.464 2.11 . . . . 73.44 112.324 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -64.38 -39.44 93.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -77.52 -38.92 47.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 71.35 110.515 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.673 HD21 ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -71.24 -35.12 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 75.0 110.083 179.164 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -39.87 35.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.605 -0.807 . . . . 74.1 111.721 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -73.14 -31.19 64.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 71.33 110.736 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 10.0 tt -61.77 -46.75 88.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.961 0.41 . . . . 71.53 110.893 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -48.0 81.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 71.12 110.778 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -61.17 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.646 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.27 98.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.08 -0.509 . . . . 71.12 110.788 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 15.4 t -57.02 -29.65 32.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.889 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -59.97 -31.13 69.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 71.05 110.695 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -75.24 -6.98 52.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.325 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 63' ' ' VAL . 28.0 t -72.79 104.06 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.875 0.369 . . . . 74.54 110.724 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.58 119.71 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.07 -0.514 . . . . 74.1 110.67 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.529 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 8' ' ' ALA . 62.1 t -85.37 124.97 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.789 0.328 . . . . 72.24 111.154 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -74.97 -54.68 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.24 111.218 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -166.7 169.06 13.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 73.2 111.141 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.406 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.3 t -131.53 133.56 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.144 -0.48 . . . . 73.25 111.311 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.5 138.93 43.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.357 -0.383 . . . . 63.23 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.536 ' NE ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -69.35 120.25 14.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 75.24 110.831 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 58.6 t . . . . . 0 N--CA 1.453 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.226 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.672 HG11 ' HD3' ' B' ' 74' ' ' ARG . 40.9 t . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.876 0.369 . . . . 71.32 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -97.59 151.25 20.25 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.16 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.589 HD11 ' HE1' ' B' ' 48' ' ' PHE . 16.9 mt -136.03 132.03 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.217 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -105.08 104.75 14.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.517 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.427 HG22 HG13 ' B' ' 72' ' ' VAL . 21.8 t -106.09 112.97 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.515 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.04 144.71 28.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.628 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.931 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -159.4 160.74 35.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 75.53 111.262 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.753 ' O ' HD12 ' B' ' 14' ' ' LEU . 19.9 tp -56.29 132.79 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.32 110.902 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -59.43 99.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.03 111.039 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -142.67 170.18 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 62.53 110.842 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -98.49 30.45 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.915 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -141.48 -43.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.14 111.052 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.931 HD13 ' HB1' ' B' ' 8' ' ' ALA . 17.3 mt -50.72 -38.07 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.11 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.027 HD11 HG11 ' B' ' 34' ' ' VAL . 0.4 OUTLIER -60.15 -55.66 31.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.21 110.513 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.5 t -58.05 -31.87 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.78 -0.645 . . . . 63.11 110.485 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ASP . . . . . 0.47 ' OD1' HG13 ' B' ' 66' ' ' VAL . 1.9 t0 -66.04 -46.0 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.596 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 14' ' ' LEU . 11.8 t -64.24 -45.81 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 75.1 110.839 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.501 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.08 -37.23 80.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 41.42 110.132 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -70.6 -39.09 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 75.32 110.703 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.68 76.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 70.35 110.787 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.528 ' O ' HG23 ' B' ' 27' ' ' VAL . 7.2 mt -69.77 -36.49 75.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.647 . . . . 75.11 110.549 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.44 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 75.2 111.137 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -53.05 -36.0 60.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.33 -0.396 . . . . 74.53 110.953 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.51 19.67 20.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.886 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 tttm 54.11 28.9 9.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.42 -0.354 . . . . 75.5 111.08 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 22' ' ' LEU . 36.4 t -57.76 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 53.34 110.592 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.12 100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.042 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.942 HD12 ' CD2' ' A' ' 12' ' ' HIS . 6.1 mt -90.84 130.06 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.856 -0.611 . . . . 75.34 110.337 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 47' ' ' THR . 77.1 mt -74.65 -29.17 61.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.903 0.382 . . . . 74.53 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.2 m -133.04 131.34 40.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.99 -0.55 . . . . 64.02 110.804 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.18 121.42 16.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 74.31 110.144 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 60.2 p -160.13 134.16 7.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.939 0.4 . . . . 63.14 111.919 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 1.027 HG11 HD11 ' B' ' 15' ' ' LEU . 8.6 p -131.15 138.09 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.024 -0.535 . . . . 72.43 111.066 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.753 HG22 ' OG ' ' A' ' 31' ' ' SER . 18.4 p -136.64 152.88 50.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.406 -0.361 . . . . 74.23 111.03 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -91.58 107.85 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.4 ' OG ' HD12 ' B' ' 43' ' ' ILE . 0.8 OUTLIER -89.53 146.4 24.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.874 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.59 -82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 71.54 112.386 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -166.74 -66.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.323 . . . . 74.2 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -96.8 38.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.777 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.35 134.44 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 115.977 -0.556 . . . . 72.23 111.169 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.43 113.13 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 44.34 111.166 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.4 HD12 ' OG ' ' B' ' 37' ' ' SER . 26.7 mt -95.75 125.14 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.055 -0.52 . . . . 62.24 111.243 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 150.28 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.893 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -135.1 119.96 18.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.281 -0.418 . . . . 75.41 110.343 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' B' ' 31' ' ' SER . 61.5 m-85 -129.71 125.39 35.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.05 0.452 . . . . 74.55 111.616 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 88.4 m -116.07 119.64 36.51 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.791 -0.64 . . . . 74.41 110.092 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.589 ' HE1' HD11 ' B' ' 4' ' ' ILE . 2.5 p90 -138.23 147.33 43.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.973 0.416 . . . . 75.24 111.498 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -91.19 111.91 23.59 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.92 -0.582 . . . . 73.22 110.776 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 150.24 31.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.381 -0.372 . . . . 70.1 111.192 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.49 -32.29 1.81 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.885 -0.674 . . . . 74.52 112.374 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.03 110.67 3.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.481 0.181 . . . . 63.05 110.775 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.41 -27.31 33.91 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.449 2.099 . . . . 52.15 112.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -63.02 -40.37 97.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.888 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -77.5 -34.91 53.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 74.11 110.628 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -36.01 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 53.33 110.126 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.04 -38.17 36.01 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.753 -0.737 . . . . 72.44 111.816 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -30.41 52.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 73.3 110.78 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.777 ' O ' HG23 ' B' ' 63' ' ' VAL . 7.5 tt -66.63 -55.28 16.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.933 0.396 . . . . 60.14 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -45.7 81.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.746 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.77 -38.78 92.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 52.41 110.65 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.75 95.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.827 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 59' ' ' LEU . 23.1 t -57.83 -32.37 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 53.41 110.94 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -61.07 -26.99 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.892 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.91 -7.99 54.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 73.03 111.388 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 63' ' ' VAL . 40.0 t -71.08 104.07 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 120.911 0.386 . . . . 74.32 110.583 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.68 ' O ' HD21 ' B' ' 14' ' ' LEU . 62.7 tt0 -52.34 116.9 2.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 70.54 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.03 -19.6 27.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.811 -0.709 . . . . 74.01 112.742 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 66' ' ' VAL . 5.5 p -70.91 126.09 30.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.337 . . . . 75.03 111.124 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -68.2 -60.52 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 75.41 110.836 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -167.21 169.1 12.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.54 111.069 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' B' ' 63' ' ' VAL . 33.1 t -131.38 126.42 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.115 -0.493 . . . . 72.14 111.003 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.32 131.93 37.06 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.894 0.378 . . . . 71.41 111.25 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.672 ' HD3' HG11 ' B' ' 2' ' ' VAL . 8.2 mtm180 -69.83 119.48 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 73.22 110.747 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 14.5 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.389 . . . . 70.32 111.231 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.865 0.364 . . . . 75.31 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.03 139.82 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.188 -0.46 . . . . 64.2 111.293 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.59 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -105.79 161.47 14.39 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.068 -0.515 . . . . 74.21 110.976 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.655 HD11 ' CE2' ' A' ' 48' ' ' PHE . 21.0 mt -135.32 131.96 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.328 -0.396 . . . . 71.33 111.407 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.84 105.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.26 -0.427 . . . . 71.15 110.495 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.6 t -104.11 112.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.279 -0.419 . . . . 64.13 111.486 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -93.1 128.02 38.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.439 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.671 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -158.02 168.09 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 73.52 111.401 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -53.43 144.54 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 53.54 110.947 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.471 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 21.9 t70 -63.55 81.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 71.14 111.085 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -153.49 142.07 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 74.23 110.884 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.855 ' CD2' HD12 ' B' ' 29' ' ' ILE . 19.5 t-80 -72.17 -10.56 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 72.33 111.253 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -69.06 -37.96 78.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.834 0.35 . . . . 71.35 110.827 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.8 mm? -63.28 -44.94 93.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.521 . . . . 72.12 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.4 mm? -61.68 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.59 . . . . 73.23 110.805 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.532 ' HA ' HG21 ' B' ' 19' ' ' THR . 68.9 p -64.24 -42.48 96.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 64.41 110.465 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.83 -41.43 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 74.11 110.696 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 14' ' ' LEU . 34.8 t -68.13 -37.42 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.512 . . . . 63.45 110.829 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -67.28 -37.91 84.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.544 . . . . 72.25 110.544 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -61.04 -39.55 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.3 110.713 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.05 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 74.43 110.947 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.677 HD13 HG12 ' A' ' 29' ' ' ILE . 86.7 mt -65.4 -45.37 84.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.08 -32.71 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.021 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.94 -33.48 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.31 111.004 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.518 ' HB3' HG23 ' A' ' 27' ' ' VAL . 8.8 tt0 -104.76 22.06 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 72.53 111.197 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.47 30.17 12.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.396 -0.366 . . . . 53.02 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 25' ' ' GLU . 22.4 t -73.78 110.84 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 63.02 111.066 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -74.69 113.89 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 63.02 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.677 HG12 HD13 ' A' ' 22' ' ' LEU . 3.5 mp -96.31 123.89 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 73.12 111.095 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 30' ' ' LEU . 21.3 mt -75.08 -35.65 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.779 ' HB3' HG23 ' B' ' 35' ' ' THR . 0.3 OUTLIER -173.11 170.82 4.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 72.51 111.014 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.97 150.19 5.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 42.04 111.273 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -163.61 139.22 6.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 71.53 110.731 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.504 HG23 ' C ' ' A' ' 43' ' ' ILE . 9.6 p -130.91 144.76 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 120.966 0.412 . . . . 74.4 111.416 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.512 ' O ' HD12 ' A' ' 43' ' ' ILE . 33.6 p -134.46 148.27 50.55 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.996 -0.547 . . . . 73.22 110.836 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 t -73.65 108.14 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 71.24 111.121 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.516 ' HB2' HD11 ' A' ' 43' ' ' ILE . 5.7 t -59.34 -32.81 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 63.51 110.902 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.732 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 174.4 -109.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 40.34 112.673 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.32 113.61 25.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 74.35 111.07 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.42 35.4 17.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.31 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG23 ' N ' ' A' ' 38' ' ' GLY . 2.8 m -137.42 130.36 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.099 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -139.17 118.97 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.375 . . . . 74.01 111.263 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 37' ' ' SER . 0.2 OUTLIER -89.97 114.31 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 70.43 110.922 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 t -97.89 139.82 33.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.939 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 117.53 23.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.486 . . . . 43.44 110.575 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -109.08 151.81 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.253 -0.43 . . . . 64.33 111.162 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.7 m -133.73 118.75 18.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.959 -0.564 . . . . 74.21 110.526 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.2 p90 -150.65 153.69 36.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.282 -0.417 . . . . 74.22 111.089 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -110.57 111.87 23.4 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 27' ' ' VAL . 2.1 ttp -150.03 146.99 27.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.759 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.29 29.58 5.9 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.567 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.46 100.23 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.558 0.218 . . . . 72.15 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.76 -42.95 63.83 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 73.44 112.34 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -31.91 73.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 72.32 110.943 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.49 -43.92 30.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.635 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 -32.7 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 75.0 110.093 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.98 -42.5 37.12 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.726 -0.75 . . . . 74.1 111.808 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -73.88 -33.7 64.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.848 0.356 . . . . 71.33 110.684 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 63' ' ' VAL . 8.1 tp -61.62 -44.83 96.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.759 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -47.32 85.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 71.12 110.803 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.17 -39.38 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.695 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.106 -0.497 . . . . 71.12 110.742 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -56.88 -33.46 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 74.43 111.103 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -60.21 -28.48 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.327 -0.397 . . . . 71.05 110.768 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -80.23 -2.07 43.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.38 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.4 t -77.74 104.14 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 120.834 0.35 . . . . 74.54 110.696 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' HD11 ' A' ' 14' ' ' LEU . 11.7 mt-10 -52.69 120.27 5.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 74.1 110.691 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.49 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.13 -21.37 24.79 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.68 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 8' ' ' ALA . 58.4 t -86.07 123.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.81 0.338 . . . . 72.24 111.03 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -52.46 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.279 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -166.75 169.17 13.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.215 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG21 HG11 ' A' ' 63' ' ' VAL . 21.7 t -128.64 136.3 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.196 -0.456 . . . . 73.25 111.262 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -135.51 121.97 20.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.426 -0.352 . . . . 63.23 111.273 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 116.57 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.804 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.59 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 24.1 t . . . . . 0 N--CA 1.453 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.275 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.832 0.349 . . . . 71.32 111.188 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.446 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -103.58 154.57 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.147 -0.479 . . . . 72.13 111.07 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mt -132.38 132.03 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.206 -0.452 . . . . 75.25 111.555 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.603 ' HG3' HG21 ' B' ' 75' ' ' VAL . 4.2 mt-30 -109.23 108.12 18.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.966 -0.561 . . . . 65.12 110.393 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -102.5 112.86 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.86 0.362 . . . . 54.42 111.711 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.72 ' CG ' HD12 ' B' ' 43' ' ' ILE . 10.0 mt-10 -97.15 132.54 42.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.681 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -154.17 169.91 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 75.53 111.383 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 14' ' ' LEU . 27.8 tp -57.31 150.98 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.53 . . . . 73.32 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -71.04 76.73 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.008 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.558 ' CB ' HD12 ' B' ' 14' ' ' LEU . 24.4 ttp85 -125.15 139.03 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.88 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -64.79 -44.69 89.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.15 111.054 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -30.91 71.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.055 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.707 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.0 mt -56.36 -37.81 70.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 70.11 110.901 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.757 HD22 HG11 ' B' ' 34' ' ' VAL . 39.7 mt -59.76 -55.4 34.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 73.21 110.347 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.83 -33.21 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 63.11 110.335 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.67 -44.94 92.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 73.14 110.376 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 14' ' ' LEU . 22.2 t -66.97 -39.22 82.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 75.1 110.746 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.592 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.45 -38.72 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 41.42 110.457 179.529 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -70.58 -36.99 73.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.614 . . . . 75.32 110.826 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -54.63 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 70.35 110.799 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 27' ' ' VAL . 64.0 mt -69.52 -33.23 72.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.812 -0.631 . . . . 75.11 110.543 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.47 -24.5 62.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 75.2 111.097 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -51.25 -35.44 37.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 74.53 110.923 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -107.56 21.13 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 73.12 110.841 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.93 29.5 10.06 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.334 -0.394 . . . . 75.5 110.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 22' ' ' LEU . 35.5 t -59.32 89.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.34 110.674 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -63.97 100.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 74.34 110.698 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.855 HD12 ' CD2' ' A' ' 12' ' ' HIS . 7.5 mt -85.92 134.11 28.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 75.34 110.322 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 7.4 mt -74.33 -26.55 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.365 . . . . 74.53 110.852 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -143.4 133.87 24.82 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.793 179.56 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.521 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -132.79 121.63 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.413 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.42 ' O ' ' N ' ' B' ' 45' ' ' ARG . 0.9 OUTLIER -155.31 130.79 9.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.805 -0.358 . . . . 63.14 111.694 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.757 HG11 HD22 ' B' ' 15' ' ' LEU . 10.1 p -131.12 120.42 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.43 111.137 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.779 HG23 ' HB3' ' A' ' 31' ' ' SER . 33.5 m -136.66 154.09 50.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.031 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 34.3 p -59.09 129.96 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.42 110.867 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -44.61 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.796 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.533 ' H ' HG23 ' B' ' 41' ' ' VAL . . . -138.69 -76.75 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.898 -0.668 . . . . 71.54 112.407 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.93 -72.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.729 0.3 . . . . 74.2 110.815 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 34.25 1.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.062 0.458 . . . . 65.54 110.374 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.533 HG23 ' H ' ' B' ' 38' ' ' GLY . 5.7 m -137.33 139.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.731 -0.668 . . . . 72.23 111.317 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.96 120.7 33.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 44.34 111.002 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.72 HD12 ' CG ' ' B' ' 7' ' ' GLU . 17.8 tt -106.47 132.83 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.249 -0.432 . . . . 62.24 111.339 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 50.6 m -103.36 155.05 18.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.932 -0.576 . . . . 61.43 110.528 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.2 OUTLIER -137.86 117.26 12.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.309 -0.405 . . . . 75.41 110.189 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.679 ' HB3' HG21 ' B' ' 29' ' ' ILE . 89.8 m-85 -125.34 125.22 43.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.048 0.452 . . . . 74.55 111.633 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 60.9 m -111.2 114.93 28.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.84 -0.618 . . . . 74.41 109.537 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.54 ' HB3' HG23 ' B' ' 29' ' ' ILE . 1.9 p90 -143.34 160.82 39.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.116 0.484 . . . . 75.24 111.825 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.94 146.46 24.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 73.22 110.61 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 48' ' ' PHE . 0.8 OUTLIER -149.96 137.9 20.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.878 0.371 . . . . 70.1 111.197 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.06 -24.69 4.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.813 -0.708 . . . . 74.52 112.534 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.13 101.43 34.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.249 . . . . 63.05 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.94 -24.49 13.96 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 52.15 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -59.76 -40.1 87.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 73.14 111.117 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -77.29 -42.77 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.691 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.438 HD12 ' HZ ' ' B' ' 48' ' ' PHE . 3.0 tp -67.12 -31.9 72.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.949 0.404 . . . . 53.33 110.032 179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -45.01 21.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.806 -0.711 . . . . 72.44 111.803 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -26.58 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.719 0.295 . . . . 73.3 110.833 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.886 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.2 OUTLIER -62.73 -46.2 89.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.934 0.397 . . . . 60.14 110.965 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -59.39 -51.22 70.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.54 . . . . 72.13 110.83 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.12 -36.14 78.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 52.41 110.602 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.728 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 59' ' ' LEU . 19.5 t -56.37 -30.87 31.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 53.41 110.964 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -31.51 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.718 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.52 -7.18 54.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.344 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' B' ' 63' ' ' VAL . 21.9 t -75.9 104.2 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.886 0.374 . . . . 74.32 110.71 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.29 120.15 4.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 70.54 110.895 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.08 -23.96 19.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 74.01 112.668 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.63 HG11 HG12 ' B' ' 63' ' ' VAL . 96.8 t -79.65 113.93 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.847 0.356 . . . . 75.03 110.964 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.78 -49.98 40.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.068 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.88 169.01 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 71.54 111.032 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.501 HG21 HG11 ' B' ' 63' ' ' VAL . 21.9 t -131.47 145.48 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.047 -0.524 . . . . 72.14 111.183 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -135.33 125.86 26.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.051 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -68.43 109.23 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.603 HG21 ' HG3' ' B' ' 5' ' ' GLN . 18.8 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 70.32 111.11 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.872 0.368 . . . . 75.31 111.168 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' A' ' 74' ' ' ARG . 20.0 t -82.23 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 64.2 111.206 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.846 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -106.5 159.81 15.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.176 -0.465 . . . . 74.21 111.003 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.846 HD13 ' O ' ' A' ' 3' ' ' ALA . 21.8 mm -133.34 132.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.295 -0.411 . . . . 71.33 111.389 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.29 104.7 14.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.054 -0.521 . . . . 71.15 110.605 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 72' ' ' VAL . 13.0 t -105.45 112.74 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.248 -0.433 . . . . 64.13 111.319 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.602 ' CG ' HG23 ' A' ' 43' ' ' ILE . 12.5 mt-10 -90.67 134.03 34.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 72.24 110.719 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.887 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.4 164.98 34.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 73.52 111.254 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.6 mm? -54.78 149.41 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 53.54 110.962 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.69 77.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.14 111.146 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.53 128.9 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.812 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' HG22 ' B' ' 19' ' ' THR . 1.5 t-80 -58.98 -28.38 66.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 72.33 110.714 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -38.14 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 71.35 110.812 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.887 HD13 ' HB1' ' A' ' 8' ' ' ALA . 54.2 mt -67.57 -47.38 69.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 72.12 110.783 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.5 mm? -61.43 -44.82 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 73.23 110.557 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 p -62.92 -41.72 99.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 64.41 110.404 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.32 -42.77 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 74.11 110.423 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 14' ' ' LEU . 33.6 t -67.51 -35.95 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 63.45 110.679 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.543 ' HA ' HD12 ' A' ' 22' ' ' LEU . 25.0 m -66.35 -39.2 89.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 72.25 110.463 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.0 -43.85 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.009 -0.541 . . . . 73.3 110.536 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.55 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.56 . . . . 74.43 110.716 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 27' ' ' VAL . 37.0 mt -65.99 -53.87 33.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.942 -0.572 . . . . 75.54 110.631 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -38.54 72.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.999 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.81 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 72.31 110.817 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.41 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.18 45.2 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.912 0.387 . . . . 53.02 111.031 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 22' ' ' LEU . 4.8 m -109.31 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.063 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -64.11 121.28 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.02 111.031 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.3 129.43 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.054 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.97 -33.0 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 t -170.35 171.52 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.068 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -164.55 145.12 7.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 42.04 111.165 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 m -163.61 133.93 4.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 71.53 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.828 HG23 ' C ' ' A' ' 43' ' ' ILE . 15.0 p -128.04 140.82 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-O 120.927 0.394 . . . . 74.4 111.531 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -127.99 154.08 46.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.024 -0.535 . . . . 73.22 110.915 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 p -75.9 127.8 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.055 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 43' ' ' ILE . 40.7 t -109.55 76.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 63.51 110.836 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.61 -81.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 40.34 112.378 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -159.22 -68.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 74.35 110.86 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 9' ' ' LEU . 45.8 mtt-85 -97.95 35.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.02 0.438 . . . . 74.31 110.683 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.44 143.33 34.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.788 -0.642 . . . . 74.23 111.126 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.32 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.01 111.241 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.828 ' C ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.61 107.9 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 70.43 110.643 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.636 ' N ' HG23 ' A' ' 34' ' ' VAL . 1.9 p -98.3 131.41 44.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 73.14 111.158 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.84 117.11 29.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.02 -0.536 . . . . 43.44 110.538 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -109.13 125.59 52.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.959 0.409 . . . . 64.33 111.266 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -105.36 115.39 30.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.016 -0.538 . . . . 74.21 110.661 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 142.4 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.399 . . . . 74.22 111.184 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.82 127.41 35.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 64.54 110.859 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.0 165.86 31.41 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.336 -0.393 . . . . 73.44 111.012 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.65 -43.36 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 74.22 112.471 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.68 109.05 1.44 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.511 0.196 . . . . 72.15 111.019 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.75 -31.52 20.41 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.379 2.053 . . . . 73.44 112.412 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -40.82 92.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.787 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -77.58 -44.42 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.968 -0.56 . . . . 71.35 110.479 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.8 tt -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 75.0 109.997 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.77 -42.56 38.4 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.789 -0.72 . . . . 74.1 111.596 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.36 -33.27 73.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 71.33 110.636 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.895 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.51 -43.86 96.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 71.53 110.799 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.23 -49.45 77.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 71.12 110.821 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.0 -40.66 94.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.628 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.89 93.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 71.12 110.705 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 59' ' ' LEU . 23.2 t -56.89 -30.94 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 74.43 110.96 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -60.11 -30.13 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 71.05 110.799 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -76.16 -5.94 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.419 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 63' ' ' VAL . 26.3 t -74.66 104.2 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 120.879 0.371 . . . . 74.54 110.667 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -51.16 119.82 4.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.544 . . . . 74.1 110.753 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -23.38 21.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.542 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.537 HG22 ' HB2' ' A' ' 8' ' ' ALA . 55.4 t -84.21 126.43 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.825 0.345 . . . . 72.24 111.141 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -73.43 -57.84 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.276 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.72 169.16 13.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.522 . . . . 73.2 111.069 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.538 HG22 HG13 ' A' ' 6' ' ' VAL . 21.8 t -124.67 136.1 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.103 -0.499 . . . . 73.25 111.276 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 133.48 38.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.905 0.383 . . . . 63.23 111.201 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.677 ' HD2' HG11 ' A' ' 2' ' ' VAL . 20.0 ttp180 -71.3 117.17 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.786 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.1 t . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.329 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.884 0.373 . . . . 71.32 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -107.58 169.52 8.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.143 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.6 mt -145.67 132.0 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.949 0.404 . . . . 75.25 111.398 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.53 108.76 20.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.019 -0.537 . . . . 65.12 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.6 112.99 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 54.42 111.593 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.602 ' O ' HG13 ' B' ' 69' ' ' VAL . 1.6 tp10 -96.65 128.31 43.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.745 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.653 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -156.77 151.28 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 75.53 111.056 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.418 HD12 ' O ' ' B' ' 40' ' ' ARG . 11.7 tp -52.78 146.47 10.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 73.32 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' B' ' 36' ' ' THR . 0.3 OUTLIER -71.29 95.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.099 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -125.51 -172.57 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 62.53 110.84 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -103.55 -31.36 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 73.15 110.976 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -96.68 -24.41 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.14 111.082 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.576 HD21 ' O ' ' B' ' 67' ' ' GLU . 2.8 mt -55.55 -42.98 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 70.11 111.064 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 1.038 HD21 HG11 ' B' ' 34' ' ' VAL . 0.4 OUTLIER -59.87 -56.4 22.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.329 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 56.9 p -59.43 -29.27 67.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 63.11 110.292 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -47.31 78.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.925 -0.579 . . . . 73.14 110.328 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 14' ' ' LEU . 46.3 t -65.01 -44.53 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 75.1 110.451 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.488 HG22 ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.51 -38.63 87.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.819 -0.628 . . . . 41.42 110.143 179.267 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.17 -41.71 89.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.607 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.52 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 70.35 110.64 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.505 HD22 HD11 ' B' ' 59' ' ' LEU . 34.8 mt -76.69 -31.22 57.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.703 -0.68 . . . . 75.11 110.495 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB2' ' HE1' ' A' ' 12' ' ' HIS . . . -68.1 -29.09 67.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 75.2 111.099 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -50.73 -28.52 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.53 111.102 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -117.63 19.02 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 73.12 111.212 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 49.96 30.68 4.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.456 -0.338 . . . . 75.5 111.261 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.5 92.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 53.34 110.625 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -63.95 104.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.983 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.667 HD13 ' CD2' ' B' ' 46' ' ' PHE . 4.3 mt -91.91 135.84 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.867 -0.606 . . . . 75.34 110.348 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' THR . 29.6 mt -74.67 -22.35 58.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.729 0.299 . . . . 74.53 111.073 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.432 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -151.08 143.47 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.962 0.411 . . . . 64.02 110.994 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -142.22 121.62 13.19 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.0 -0.545 . . . . 74.31 110.278 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.8 m -154.67 138.08 15.86 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.97 0.414 . . . . 63.14 111.861 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 1.038 HG11 HD21 ' B' ' 15' ' ' LEU . 7.4 p -131.23 135.99 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.869 -0.605 . . . . 72.43 110.829 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.8 p -136.72 154.01 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 74.23 111.158 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.416 HG22 ' OD2' ' B' ' 10' ' ' ASP . 18.6 p -96.93 121.85 39.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.854 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -88.79 -80.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 74.14 111.231 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.69 2.91 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.667 -0.778 . . . . 71.54 112.933 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 68.42 -65.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 74.2 111.249 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.418 ' O ' HD12 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -94.93 35.76 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 65.54 111.22 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.57 113.1 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 72.23 110.712 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -97.32 114.54 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 44.34 111.323 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 33.3 mt -102.58 109.77 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.942 -0.572 . . . . 62.24 110.928 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.93 149.4 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.43 110.781 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.59 117.94 11.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.524 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' B' ' 29' ' ' ILE . 80.1 m-85 -121.78 125.25 46.09 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.143 -0.481 . . . . 74.55 111.235 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 41.5 m -111.0 115.24 29.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.13 -0.486 . . . . 74.41 110.194 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' B' ' 56' ' ' LEU . 3.4 p90 -138.85 171.34 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 75.24 111.175 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.42 165.78 14.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 73.22 110.678 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.1 ttp -108.9 141.26 41.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 70.1 111.178 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.88 -60.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.895 -0.669 . . . . 74.52 112.349 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -106.39 138.71 19.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.555 0.217 . . . . 63.05 110.794 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.27 -39.26 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.505 2.136 . . . . 52.15 112.383 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -63.83 -27.15 68.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 73.14 111.057 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -77.4 -44.38 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 74.11 110.727 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -71.93 -31.67 66.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 53.33 110.204 179.467 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.54 26.75 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 72.44 111.917 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.2 -29.08 42.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.695 0.283 . . . . 73.3 110.889 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.882 ' O ' HG23 ' B' ' 63' ' ' VAL . 6.5 tt -61.47 -45.36 94.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.889 0.376 . . . . 60.14 110.834 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -47.99 83.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 72.13 110.812 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -61.38 -36.96 81.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 52.41 110.786 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.51 86.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 62.43 110.811 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 59' ' ' LEU . 13.9 t -58.2 -30.85 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.53 . . . . 53.41 110.918 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -62.69 -27.29 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.12 110.757 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.14 3.97 28.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.553 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 63' ' ' VAL . 23.7 t -81.02 104.22 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-O 120.934 0.397 . . . . 74.32 110.645 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.576 ' O ' HD21 ' B' ' 14' ' ' LEU . 7.3 mt-10 -53.72 120.17 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 70.54 110.871 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.05 -23.93 20.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.01 112.76 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.653 HG22 ' HB2' ' B' ' 8' ' ' ALA . 47.6 t -80.9 121.34 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.88 0.371 . . . . 75.03 110.941 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -69.0 -53.93 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 75.41 111.055 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -166.77 169.05 13.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.561 . . . . 71.54 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.614 HG21 ' CG1' ' B' ' 63' ' ' VAL . 24.0 t -131.15 139.35 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.993 -0.549 . . . . 72.14 111.107 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -135.18 122.49 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 71.41 111.18 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 109.21 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 73.22 110.812 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 97.9 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 70.32 111.212 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 1' ' ' LEU . 1.5 mp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.855 0.36 . . . . 75.31 111.142 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.32 149.13 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.2 111.174 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -113.71 168.46 9.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.862 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.77 131.9 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.992 0.425 . . . . 71.33 111.455 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.66 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -100.01 143.93 29.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.931 -0.577 . . . . 71.15 110.29 179.524 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 15.4 t -141.19 112.71 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.869 0.366 . . . . 64.13 111.342 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -94.19 134.76 36.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 72.24 110.395 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.46 169.06 24.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.368 . . . . 73.52 111.464 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 14' ' ' LEU . 13.0 tp -53.88 153.85 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 53.54 111.167 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.549 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 1.4 m-20 -66.49 87.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.14 111.2 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.46 139.76 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.654 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' HB2' HD12 ' B' ' 29' ' ' ILE . 0.3 OUTLIER -74.43 -35.0 63.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 72.33 110.918 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -61.71 -27.54 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 71.35 111.324 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 18' ' ' VAL . 13.8 mt -60.23 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 72.12 111.013 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' B' ' 32' ' ' ALA . 0.7 OUTLIER -61.72 -32.36 72.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.512 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 10.2 t -70.25 -43.67 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 64.41 110.41 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.34 -41.1 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 74.11 110.466 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 14' ' ' LEU . 38.0 t -66.44 -44.53 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 63.45 110.665 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 m -63.22 -35.8 81.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 72.25 110.496 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 73.3 110.72 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.17 89.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.997 -0.547 . . . . 74.43 110.894 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.756 HD23 HD22 ' A' ' 59' ' ' LEU . 79.9 mt -67.22 -50.93 58.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 75.54 110.729 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.34 70.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.24 -29.63 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.46 22.81 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.025 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 60.58 40.42 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 53.02 111.043 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' LEU . 22.7 t -95.25 102.7 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 63.02 111.108 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -73.71 119.92 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 63.02 110.959 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.33 130.07 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.12 111.114 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 1' ' ' LEU . 40.0 mt -77.15 -35.66 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.863 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -170.94 170.42 6.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.97 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 46' ' ' PHE . . . -168.06 155.04 7.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 42.04 111.132 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -163.63 146.48 9.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.53 111.043 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.739 HG12 ' CB ' ' A' ' 44' ' ' SER . 14.1 m -131.01 142.19 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.135 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -136.55 140.06 42.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.092 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.8 m -68.64 117.78 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.963 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -67.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 63.51 110.858 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.81 -95.35 1.56 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.817 -0.706 . . . . 40.34 112.315 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -118.15 -69.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 74.35 110.724 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.559 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -98.95 34.64 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.559 179.49 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.46 125.88 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 74.23 111.124 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -123.65 124.96 43.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.01 111.234 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.8 mt -89.86 143.2 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.136 -0.484 . . . . 70.43 110.79 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.739 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.1 m -130.41 153.59 48.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 73.14 111.187 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -143.92 149.76 37.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.92 -0.582 . . . . 43.44 110.551 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CD2' ' HB1' ' A' ' 32' ' ' ALA . 11.4 m-85 -149.22 125.49 10.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 64.33 111.217 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -104.16 123.25 46.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.968 -0.56 . . . . 74.21 110.623 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -150.92 135.7 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 74.22 111.096 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -88.81 125.8 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.2 mmt -149.87 165.72 31.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.322 -0.399 . . . . 73.44 111.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.47 -39.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.475 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.44 110.84 7.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.6 0.238 . . . . 72.15 110.916 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.2 -24.17 32.54 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.324 2.016 . . . . 73.44 112.453 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 72.32 111.092 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -77.26 -42.23 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.635 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 6.2 tt -73.64 -32.37 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 75.0 110.1 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.71 -45.1 36.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.794 -0.717 . . . . 74.1 111.645 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.11 -34.37 68.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.836 0.35 . . . . 71.33 110.497 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.2 mt -62.12 -44.36 96.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 71.53 110.667 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.38 81.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 71.12 110.774 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.68 -40.16 93.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 75.44 110.594 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.85 94.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 71.12 110.682 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 59' ' ' LEU . 24.2 t -56.13 -34.16 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 74.43 111.262 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 71.05 110.733 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -78.43 -4.24 47.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.364 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.2 t -77.64 104.15 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-O 120.846 0.355 . . . . 74.54 110.855 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.68 120.98 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.503 . . . . 74.1 110.747 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 72.24 112.623 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.5 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 59.7 t -84.37 125.52 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.843 0.354 . . . . 72.24 111.095 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.99 -55.64 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.256 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -166.72 169.18 13.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.335 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 5' ' ' GLN . 39.9 t -126.68 138.1 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.802 -0.636 . . . . 73.25 111.199 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.42 120.39 18.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.423 -0.353 . . . . 63.23 111.168 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -61.67 111.62 1.92 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 75.24 110.889 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.2 t . . . . . 0 N--CA 1.453 -0.321 0 CA-C-N 116.24 -0.436 . . . . 75.21 111.232 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.801 0.334 . . . . 71.32 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -116.76 168.52 10.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.131 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' B' ' 48' ' ' PHE . 24.6 mt -140.41 132.12 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.262 -0.426 . . . . 75.25 111.382 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.439 ' HB2' HG23 ' B' ' 75' ' ' VAL . 1.9 tt0 -109.36 105.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.439 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -102.62 112.84 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.207 -0.451 . . . . 54.42 111.555 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' B' ' 43' ' ' ILE . 3.4 tt0 -96.85 134.81 39.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.405 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -159.37 162.18 35.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 75.53 111.383 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.582 ' O ' HD23 ' B' ' 14' ' ' LEU . 3.2 pp -57.24 140.04 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 73.32 110.856 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' B' ' 42' ' ' ALA . 25.3 t0 -60.08 107.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.104 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 164.49 30.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.53 110.776 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -90.5 -48.9 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.15 111.025 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.06 -23.11 58.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.14 111.018 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' B' ' 8' ' ' ALA . 10.3 tp -54.08 -42.23 69.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 70.11 111.075 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.632 HD22 HG11 ' B' ' 34' ' ' VAL . 42.0 tp -57.27 -50.44 72.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 73.21 110.501 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 64.3 m -60.29 -36.84 78.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 63.11 110.188 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.93 -45.23 95.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.536 . . . . 73.14 110.415 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 14' ' ' LEU . 54.4 t -63.1 -50.89 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 75.1 110.687 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -34.32 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.89 -0.596 . . . . 41.42 110.305 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 0.0 OUTLIER -70.2 -45.73 66.01 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.616 179.714 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.31 -41.98 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.242 0.544 . . . . 70.35 110.31 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.601 HD22 ' CD1' ' B' ' 59' ' ' LEU . 13.6 mt -83.56 -27.96 28.91 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.489 -0.778 . . . . 75.11 110.181 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' B' ' 20' ' ' ARG . . . -59.61 -34.17 72.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.921 -0.581 . . . . 75.2 110.859 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -50.08 -27.42 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 74.53 110.853 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.19 -17.24 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.129 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt 71.44 43.01 0.64 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.937 0.398 . . . . 75.5 110.966 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.35 103.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 53.34 110.69 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.73 107.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 74.34 110.534 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' B' ' 46' ' ' PHE . 2.6 mt -94.71 135.47 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.734 -0.667 . . . . 75.34 110.509 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 47' ' ' THR . 12.4 mt -74.48 -20.8 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 74.53 110.303 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.7 OUTLIER -154.77 134.05 12.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.113 -0.494 . . . . 64.02 110.631 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.496 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -135.88 121.64 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 74.31 110.34 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -157.96 140.89 14.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.007 0.432 . . . . 63.14 111.779 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.632 HG11 HD22 ' B' ' 15' ' ' LEU . 9.4 p -131.19 129.31 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.925 -0.579 . . . . 72.43 111.122 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 34.6 p -136.57 153.74 50.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.055 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -59.8 137.92 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.42 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -61.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.915 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.76 -91.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.421 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.49 ' O ' HG23 ' B' ' 41' ' ' VAL . 0.4 OUTLIER -112.11 105.78 14.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 74.2 110.892 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 60.82 39.61 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.5 t -137.19 154.59 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.108 -0.496 . . . . 72.23 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' B' ' 10' ' ' ASP . . . -139.08 138.15 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 44.34 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.469 HD12 ' OE2' ' B' ' 7' ' ' GLU . 3.5 tt -130.01 127.98 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 62.24 111.266 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 2.4 m -97.9 158.25 15.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 61.43 110.595 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 118.43 12.13 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.267 -0.424 . . . . 75.41 110.367 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.606 ' HB3' HG21 ' B' ' 29' ' ' ILE . 59.1 m-85 -123.4 125.3 44.71 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.143 -0.48 . . . . 74.55 111.283 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.447 ' O ' ' N ' ' B' ' 30' ' ' LEU . 45.0 m -114.39 115.16 26.88 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.831 -0.622 . . . . 74.41 109.963 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' B' ' 4' ' ' ILE . 2.8 p90 -140.4 171.6 13.91 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.272 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.23 165.82 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 73.22 110.608 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.4 ptp -108.96 151.06 26.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.971 0.415 . . . . 70.1 111.296 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.75 -51.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.926 -0.654 . . . . 74.52 112.297 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.47 99.56 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.584 0.23 . . . . 63.05 110.795 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.43 -42.81 40.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.455 2.103 . . . . 52.15 112.591 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -62.74 -37.89 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.623 ' O ' HD23 ' B' ' 59' ' ' LEU . 0.5 OUTLIER -77.56 -41.84 37.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.553 . . . . 74.11 110.555 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 -33.01 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 53.33 110.125 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.69 -41.69 23.42 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.796 -0.716 . . . . 72.44 111.79 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -75.1 -24.31 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.647 0.261 . . . . 73.3 110.983 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.791 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.5 OUTLIER -58.84 -50.91 72.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.021 0.439 . . . . 60.14 111.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.494 HD21 ' HD2' ' B' ' 74' ' ' ARG . 3.0 mp -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.595 . . . . 72.13 110.913 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.32 -38.53 89.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 52.41 110.718 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.01 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.079 -0.51 . . . . 62.43 110.814 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 59' ' ' LEU . 24.4 t -58.13 -31.83 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 53.41 110.989 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -62.51 -25.67 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.92 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.58 -12.09 60.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 73.03 111.377 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 63' ' ' VAL . 40.6 t -65.09 103.96 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-O 120.919 0.39 . . . . 74.32 110.495 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.06 115.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 70.54 110.808 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -16.05 30.08 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.695 -0.765 . . . . 74.01 112.579 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.592 HG12 ' O ' ' B' ' 66' ' ' VAL . 9.8 p -75.6 121.4 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.85 0.357 . . . . 75.03 111.145 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -71.09 -49.72 41.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 75.41 110.914 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.31 165.08 15.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.558 . . . . 71.54 111.077 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.58 HG21 ' HB ' ' B' ' 63' ' ' VAL . 33.1 t -131.51 132.35 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 116.07 -0.514 . . . . 72.14 110.809 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.26 128.98 32.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.82 0.343 . . . . 71.41 111.225 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.494 ' HD2' HD21 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -69.74 110.57 4.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.789 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 87.0 t . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 70.32 111.186 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.877 0.37 . . . . 75.31 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.526 HG23 ' CE ' ' A' ' 50' ' ' MET . 22.0 t -82.21 144.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.2 111.136 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -108.5 167.43 10.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.997 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.688 HD11 ' CE1' ' A' ' 48' ' ' PHE . 27.5 mt -141.92 133.15 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-O 120.899 0.38 . . . . 71.33 111.434 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.517 ' HG3' HG21 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -105.55 104.87 14.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 110.723 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.515 HG13 HG22 ' A' ' 72' ' ' VAL . 21.8 t -103.87 112.7 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.321 -0.4 . . . . 64.13 111.268 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.553 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.4 tt0 -90.63 133.8 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.788 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.681 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.35 166.86 30.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 73.52 111.27 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.9 mt -52.09 149.62 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 53.54 111.017 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.91 76.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.023 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.54 130.15 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.848 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.882 ' ND1' HD12 ' B' ' 29' ' ' ILE . 32.6 t60 -59.03 -21.33 58.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -57.96 -38.64 76.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.86 0.362 . . . . 71.35 110.885 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.0 mm? -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 72.12 110.767 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.8 mm? -59.75 -48.46 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.809 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -60.9 -41.22 95.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.91 -0.586 . . . . 64.41 110.585 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.69 -41.67 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.533 . . . . 74.11 110.569 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 14' ' ' LEU . 37.6 t -66.74 -39.93 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 63.45 110.833 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -65.69 -36.91 85.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 72.25 110.612 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 73.3 110.714 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.39 98.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 74.43 110.943 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.699 HD13 HG12 ' A' ' 29' ' ' ILE . 24.4 mt -65.26 -49.28 70.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 75.54 110.817 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.43 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.508 . . . . 73.12 111.122 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -58.41 -31.1 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 72.31 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -108.94 25.86 11.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 72.53 111.088 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 30.48 15.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.375 . . . . 53.02 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 22' ' ' LEU . 31.0 t -75.86 125.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.065 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -94.09 115.77 28.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 63.02 110.926 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 22' ' ' LEU . 4.0 mp -96.3 129.59 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.134 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD11 ' HG3' ' A' ' 49' ' ' GLU . 58.4 mt -75.15 -32.05 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 72.1 110.971 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.891 ' OG ' HG23 ' B' ' 35' ' ' THR . 4.8 m -173.18 171.52 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.927 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 45' ' ' ARG . . . -163.94 146.03 9.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 42.04 111.147 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -163.58 129.91 3.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.304 -0.407 . . . . 71.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.8 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.2 p -121.28 141.46 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.276 -0.42 . . . . 74.4 111.461 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 p -136.49 154.12 50.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.891 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 121.07 8.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 71.24 111.015 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -66.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.51 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.26 -113.07 0.78 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 40.34 112.533 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -95.36 103.72 15.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 74.35 110.935 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 64.25 38.32 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 74.31 110.859 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.0 t -137.38 147.4 26.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.142 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.24 120.51 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.8 ' C ' HG23 ' A' ' 34' ' ' VAL . 3.1 tp -97.91 120.25 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.43 111.195 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.537 ' N ' HG23 ' A' ' 34' ' ' VAL . 4.2 p -98.77 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.056 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ALA . 18.3 mtt180 -116.13 117.12 29.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.066 -0.515 . . . . 43.44 110.519 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -112.4 129.43 56.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.325 -0.398 . . . . 64.33 111.346 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -107.9 124.0 49.46 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.984 -0.553 . . . . 74.21 110.608 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CE1' HD11 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.78 171.13 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.149 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.705 ' HG3' HD11 ' A' ' 30' ' ' LEU . 18.4 mt-10 -88.54 165.74 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 64.54 110.842 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.526 ' CE ' HG23 ' A' ' 2' ' ' VAL . 7.6 ptp -109.03 144.52 36.93 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.44 111.103 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.6 -76.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.422 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.34 141.6 23.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.652 0.263 . . . . 72.15 110.823 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.9 -33.35 3.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.497 2.131 . . . . 73.44 112.417 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.525 . . . . 72.32 110.945 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.49 -44.39 28.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 71.35 110.657 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 60' ' ' LEU . 8.3 mp -68.67 -33.88 74.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.062 0.458 . . . . 75.0 110.041 179.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.8 -40.0 37.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.678 -0.772 . . . . 74.1 111.658 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -32.62 70.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.744 0.307 . . . . 71.33 110.793 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.882 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -62.59 -47.16 85.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.02 0.438 . . . . 71.53 110.924 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 56' ' ' LEU . 8.2 mp -58.45 -48.35 81.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 71.12 110.837 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.44 -39.72 91.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.699 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.78 98.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 71.12 110.699 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -56.68 -32.62 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.892 -0.595 . . . . 74.43 111.094 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -60.7 -29.03 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 71.05 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.07 -2.94 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.436 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.0 t -76.4 104.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 120.852 0.358 . . . . 74.54 110.697 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.49 120.65 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 74.1 110.76 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.24 -24.02 19.34 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.728 -0.748 . . . . 72.24 112.606 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 8' ' ' ALA . 52.1 t -83.02 127.36 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.819 0.342 . . . . 72.24 111.089 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -61.18 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 63.24 111.319 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.74 169.16 24.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.076 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.515 HG22 HG13 ' A' ' 6' ' ' VAL . 22.0 t -130.37 135.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.351 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 134.91 40.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.863 0.363 . . . . 63.23 111.264 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -67.17 113.86 5.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.833 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 11.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.261 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 120.793 0.33 . . . . 71.32 111.256 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -105.37 165.2 11.29 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.163 -0.472 . . . . 72.13 111.062 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.411 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 32.9 mt -144.47 134.91 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.333 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.54 115.72 30.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.093 -0.503 . . . . 65.12 110.743 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -106.96 112.83 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.343 -0.39 . . . . 54.42 111.471 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.605 ' O ' HG13 ' B' ' 69' ' ' VAL . 7.6 tt0 -92.26 136.93 32.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.766 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -159.37 162.55 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 75.53 111.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.766 HD11 ' CG ' ' B' ' 40' ' ' ARG . 0.3 OUTLIER -58.52 127.23 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 73.32 111.0 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.643 ' N ' HD13 ' B' ' 9' ' ' LEU . 24.6 t0 -64.47 89.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.03 110.861 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.575 ' HG3' HD12 ' B' ' 9' ' ' LEU . 46.2 mtp180 -128.14 167.66 16.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.958 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -91.12 55.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.839 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -176.6 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.648 ' O ' HG23 ' B' ' 18' ' ' VAL . 7.6 mt -54.03 -36.3 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 70.11 110.855 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.744 HD23 HG21 ' B' ' 34' ' ' VAL . 3.2 mt -59.57 -54.92 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.527 . . . . 73.21 110.361 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -32.49 70.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 63.11 110.136 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.14 -45.13 93.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 73.14 110.284 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 14' ' ' LEU . 32.3 t -65.9 -42.56 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 75.1 110.487 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.729 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.6 -39.95 80.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 41.42 110.159 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -37.86 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.876 -0.602 . . . . 75.32 110.75 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.99 83.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.733 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.441 HD13 HD11 ' B' ' 29' ' ' ILE . 58.5 mt -71.96 -33.94 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 75.11 110.511 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -24.21 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 75.2 111.175 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.44 -38.86 60.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 74.53 110.96 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -102.97 21.88 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 73.12 110.885 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.4 27.56 8.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 75.5 111.157 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.4 90.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 53.34 110.409 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -63.89 100.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 74.34 111.103 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.882 HD12 ' ND1' ' A' ' 12' ' ' HIS . 6.2 mt -89.05 137.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.01 -0.541 . . . . 75.34 110.077 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 47' ' ' THR . 15.9 mt -74.52 -23.31 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 74.53 111.045 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.449 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.3 OUTLIER -150.83 139.61 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.383 -0.371 . . . . 64.02 111.043 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.514 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -137.07 127.54 26.7 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.008 -0.542 . . . . 74.31 110.327 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 45' ' ' ARG . 83.7 p -160.65 133.8 6.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 63.14 111.725 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.744 HG21 HD23 ' B' ' 15' ' ' LEU . 11.5 p -131.18 131.02 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.994 -0.548 . . . . 72.43 111.11 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.891 HG23 ' OG ' ' A' ' 31' ' ' SER . 9.3 m -136.54 143.27 43.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.995 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 36' ' ' THR . 10.2 t -66.83 117.33 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.784 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.434 ' HB3' HD12 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -58.58 -52.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 74.14 110.942 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.773 ' H ' HG23 ' B' ' 41' ' ' VAL . . . 154.6 100.24 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.471 -0.871 . . . . 71.54 113.206 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . 0.821 ' O ' HG22 ' B' ' 41' ' ' VAL . 2.9 t0 81.26 98.0 0.05 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.01 0.434 . . . . 74.2 111.938 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ARG . . . . . 0.766 ' CG ' HD11 ' B' ' 9' ' ' LEU . 4.0 ttp180 41.43 33.52 0.29 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.673 -0.694 . . . . 65.54 112.213 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.821 HG22 ' O ' ' B' ' 39' ' ' ASP . 1.2 m -137.75 126.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.253 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.25 50.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 44.34 111.317 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' B' ' 37' ' ' SER . 24.4 mt -130.04 126.35 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.023 -0.535 . . . . 62.24 111.059 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.9 OUTLIER -99.58 160.23 14.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 61.43 110.759 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 33' ' ' SER . 1.0 OUTLIER -141.05 127.95 20.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.323 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' B' ' 29' ' ' ILE . 82.5 m-85 -132.21 125.33 30.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.012 0.434 . . . . 74.55 111.754 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 30' ' ' LEU . 40.3 m -110.87 115.24 29.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.87 -0.605 . . . . 74.41 109.745 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.459 ' HB3' HG23 ' B' ' 29' ' ' ILE . 3.3 p90 -136.28 171.53 14.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.057 0.456 . . . . 75.24 111.327 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.43 ' HG3' HD11 ' B' ' 30' ' ' LEU . 3.0 mt-10 -88.14 165.75 14.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.894 -0.594 . . . . 73.22 110.738 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.4 ptm -108.87 144.31 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.315 -0.402 . . . . 70.1 111.4 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.28 -68.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.999 -0.62 . . . . 74.52 112.172 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.41 128.88 25.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.531 0.205 . . . . 63.05 110.509 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.41 -19.91 16.56 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.479 2.119 . . . . 52.15 112.787 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -43.98 87.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.793 0.33 . . . . 73.14 111.246 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' B' ' 56' ' ' LEU . 7.9 p80 -77.78 -37.98 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.733 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' N ' ' ND1' ' B' ' 55' ' ' HIS . 0.3 OUTLIER -73.02 -33.44 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 53.33 110.236 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.03 25.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.721 -0.752 . . . . 72.44 111.833 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -78.63 -26.16 45.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.685 0.279 . . . . 73.3 110.915 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.832 ' O ' HG23 ' B' ' 63' ' ' VAL . 6.6 mt -61.79 -46.66 88.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.864 0.364 . . . . 60.14 110.895 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.38 -51.19 70.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 72.13 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -61.08 -34.5 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 52.41 110.664 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.34 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 62.43 110.869 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.832 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.8 t -56.91 -32.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 53.41 111.117 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -61.26 -28.38 69.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.831 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -81.11 0.78 34.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.638 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.9 t -81.31 104.14 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 120.891 0.377 . . . . 74.32 110.652 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.545 ' O ' HD21 ' B' ' 14' ' ' LEU . 2.4 pt-20 -53.64 119.97 5.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.01 -0.541 . . . . 70.54 110.985 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.24 -24.07 19.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.751 . . . . 74.01 112.774 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.605 HG13 ' O ' ' B' ' 7' ' ' GLU . 61.6 t -79.13 123.13 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 75.03 110.876 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -68.72 -59.58 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 75.41 111.087 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -166.7 169.13 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 71.54 111.179 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.431 HG21 HG11 ' B' ' 63' ' ' VAL . 20.7 t -125.48 136.87 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.046 -0.525 . . . . 72.14 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.37 129.02 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 71.41 111.079 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -66.0 114.22 5.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.826 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 92.4 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.242 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.857 0.36 . . . . 75.31 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.06 149.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.2 111.22 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.481 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -111.46 166.18 11.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.874 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.453 ' HB ' ' CZ ' ' A' ' 46' ' ' PHE . 36.1 mt -144.16 133.85 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.025 0.44 . . . . 71.33 111.533 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.3 tt0 -103.08 130.49 50.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.744 -0.662 . . . . 71.15 110.332 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 8.5 t -124.88 112.87 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.848 0.356 . . . . 64.13 111.417 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.564 ' O ' HG13 ' A' ' 69' ' ' VAL . 28.8 mt-10 -93.25 132.99 36.92 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.619 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.33 170.85 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.374 . . . . 73.52 111.329 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? -52.36 149.69 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 53.54 111.086 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.519 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 13.3 t70 -68.04 78.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.14 111.224 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.595 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -153.49 133.35 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.807 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.576 ' ND1' HD12 ' B' ' 29' ' ' ILE . 2.8 t60 -59.74 -29.08 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.473 -0.33 . . . . 72.33 110.707 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -57.66 -34.83 69.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 71.35 111.131 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.637 HD11 ' HA3' ' A' ' 68' ' ' GLY . 3.0 mm? -60.01 -51.96 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 72.12 110.969 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.743 ' CD1' HG11 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -59.19 -42.39 90.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.97 -0.559 . . . . 73.23 110.717 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -62.78 -40.48 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 64.41 110.519 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.62 -45.86 88.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.582 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 24.5 t -66.2 -36.09 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.99 -0.55 . . . . 63.45 110.625 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 22' ' ' LEU . 67.8 m -66.84 -38.85 87.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.045 -0.525 . . . . 72.25 110.571 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -60.13 -38.77 84.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.57 . . . . 73.3 110.72 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.11 89.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 74.43 110.96 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 19' ' ' THR . 17.4 mt -63.79 -50.97 66.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 75.54 110.773 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.92 69.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.12 111.079 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.16 -30.63 66.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.54 21.88 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.145 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.61 39.65 27.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 53.02 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.8 t -90.08 127.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.02 111.085 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -90.15 115.41 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 63.02 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.38 120.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.082 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.587 HD12 ' CA ' ' A' ' 48' ' ' PHE . 6.2 mt -75.17 -35.62 61.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 72.1 111.009 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -163.23 163.05 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.51 111.07 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' B' ' 34' ' ' VAL . . . -161.28 140.41 10.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.22 -0.446 . . . . 42.04 111.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -163.66 138.53 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 71.53 110.679 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 44' ' ' SER . 13.5 m -130.95 145.52 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.394 -0.366 . . . . 74.4 111.527 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.9 p -136.56 149.18 47.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.055 -0.521 . . . . 73.22 110.87 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 m -77.26 112.88 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.24 111.039 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.46 ' HB2' HD11 ' A' ' 43' ' ' ILE . 8.7 t -63.99 -58.09 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 63.51 110.758 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.697 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -126.92 -91.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 40.34 112.399 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -73.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 74.35 110.92 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.715 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -97.64 33.54 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 74.31 110.546 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.697 HG23 ' H ' ' A' ' 38' ' ' GLY . 3.1 m -137.52 118.52 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.718 -0.673 . . . . 74.23 111.3 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -117.93 125.44 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 74.01 111.223 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 37' ' ' SER . 18.5 mt -89.9 135.46 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 70.43 110.89 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.799 ' HA ' HG12 ' A' ' 34' ' ' VAL . 1.9 m -114.26 148.14 37.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 73.14 111.32 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.0 117.26 9.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 43.44 110.408 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 4' ' ' ILE . 23.7 p90 -138.1 132.66 32.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.031 0.443 . . . . 64.33 111.513 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 m -104.45 138.65 40.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 74.21 110.51 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.587 ' CA ' HD12 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -150.87 166.5 30.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.293 -0.412 . . . . 74.22 111.053 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 30' ' ' LEU . 1.1 mm-40 -88.67 165.69 14.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 64.54 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.09 154.87 21.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.278 -0.419 . . . . 73.44 111.048 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.36 -80.99 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.815 -0.707 . . . . 74.22 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -98.63 139.25 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.602 0.239 . . . . 72.15 110.819 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.37 -32.56 7.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.461 2.107 . . . . 73.44 112.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -65.09 -35.16 80.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 72.32 110.866 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -77.47 -43.93 30.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.35 110.611 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.71 -31.61 66.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 75.0 110.073 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.42 -44.4 27.64 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.695 -0.765 . . . . 74.1 111.837 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -74.13 -30.76 62.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 71.33 110.708 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.879 ' O ' HG23 ' A' ' 63' ' ' VAL . 57.3 tp -63.82 -46.95 82.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 71.53 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.12 -50.07 74.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.766 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -61.55 -38.41 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.559 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.33 94.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.901 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.8 t -57.95 -33.68 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 74.43 110.997 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -61.52 -25.13 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 71.05 110.913 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -90.49 12.27 19.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.44 -0.346 . . . . 74.2 111.765 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 63' ' ' VAL . 26.7 t -83.36 104.26 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.915 0.388 . . . . 74.54 110.7 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.65 120.35 6.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 74.1 110.692 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.637 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.26 -22.98 21.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 72.24 112.735 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 7' ' ' GLU . 41.3 t -83.98 131.89 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 120.852 0.358 . . . . 72.24 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -50.91 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 63.24 111.297 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -166.78 169.12 13.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.146 -0.479 . . . . 73.2 111.232 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.623 HG21 HG11 ' A' ' 63' ' ' VAL . 23.5 t -131.41 138.18 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.066 -0.515 . . . . 73.25 111.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -135.47 124.85 24.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.305 -0.407 . . . . 63.23 111.318 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.34 113.35 4.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 75.24 110.886 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 94.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.21 111.182 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.405 HG11 ' NE ' ' B' ' 74' ' ' ARG . 21.9 t . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.906 0.384 . . . . 71.32 111.189 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -111.84 168.06 9.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.063 -0.517 . . . . 72.13 111.013 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 mt -142.91 132.0 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.308 -0.405 . . . . 75.25 111.275 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.693 ' O ' HG13 ' B' ' 72' ' ' VAL . 2.3 mt-30 -103.85 143.58 32.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.976 -0.556 . . . . 65.12 110.675 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.13 112.83 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.322 -0.399 . . . . 54.42 111.406 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.596 ' O ' HG13 ' B' ' 69' ' ' VAL . 21.4 mt-10 -91.92 140.06 30.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.882 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.48 158.28 31.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.107 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.712 ' O ' HD12 ' B' ' 14' ' ' LEU . 41.2 mt -57.85 134.52 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.15 107.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.038 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -153.38 169.61 22.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.53 110.922 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -101.28 31.25 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.885 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -141.99 -45.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.028 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.712 HD12 ' O ' ' B' ' 9' ' ' LEU . 34.2 mt -56.0 -36.75 68.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 70.11 110.926 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.801 HD11 HG11 ' B' ' 34' ' ' VAL . 0.8 OUTLIER -60.62 -56.78 17.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 73.21 110.294 179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -30.75 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.785 -0.643 . . . . 63.11 110.293 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.56 -46.07 84.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.271 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 14' ' ' LEU . 39.1 t -65.54 -42.53 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.358 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.554 HG22 ' HE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.44 -40.57 81.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 41.42 110.159 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -68.02 -38.58 82.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 75.32 110.755 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -44.05 85.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 70.35 110.71 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.35 -36.41 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.663 . . . . 75.11 110.483 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.8 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 75.2 111.084 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.66 -32.23 50.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.927 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.57 17.33 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 73.12 111.088 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mttt 53.29 30.3 9.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 75.5 111.176 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.65 92.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 53.34 110.637 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.12 106.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 74.34 111.041 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' B' ' 46' ' ' PHE . 4.8 mt -92.54 136.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 75.34 110.349 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 38.5 mt -74.69 -21.63 59.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.53 110.634 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.509 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -158.95 131.35 6.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.24 -0.436 . . . . 64.02 110.822 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.49 130.19 47.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.002 -0.544 . . . . 74.31 110.386 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.412 ' O ' ' N ' ' B' ' 45' ' ' ARG . 52.2 p -160.65 140.55 11.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 120.746 -0.382 . . . . 63.14 111.677 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.801 HG11 HD11 ' B' ' 15' ' ' LEU . 12.0 p -131.15 131.94 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.073 -0.512 . . . . 72.43 111.18 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -136.61 151.57 49.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.946 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.4 p -82.6 139.48 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.736 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -85.32 -30.28 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.915 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.72 -82.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.43 -69.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 74.2 110.777 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.94 35.79 1.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 65.54 110.589 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.29 121.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 72.23 111.296 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.22 145.25 36.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 44.34 110.937 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.736 HD11 ' OG ' ' B' ' 37' ' ' SER . 26.3 mt -130.13 116.16 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.233 -0.439 . . . . 62.24 111.284 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -98.08 152.85 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.672 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.0 OUTLIER -143.75 118.64 9.95 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.406 -0.361 . . . . 75.41 110.463 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.644 ' HB3' HG21 ' B' ' 29' ' ' ILE . 72.6 m-85 -123.02 125.23 44.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.25 -0.432 . . . . 74.55 111.478 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' B' ' 30' ' ' LEU . 35.4 m -109.9 115.34 29.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.714 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.477 ' HB3' HG23 ' B' ' 29' ' ' ILE . 1.1 p90 -144.88 171.54 14.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.063 0.458 . . . . 75.24 111.394 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.2 153.4 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 73.22 110.651 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -108.96 139.1 44.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.923 0.392 . . . . 70.1 111.33 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 -56.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.303 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -106.33 134.53 19.74 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.564 0.221 . . . . 63.05 110.809 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.31 -29.22 6.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.473 2.115 . . . . 52.15 112.497 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -66.32 -36.34 82.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 73.14 111.071 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.42 -44.48 28.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 74.11 110.734 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -31.63 65.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 53.33 110.267 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.79 25.87 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.749 -0.738 . . . . 72.44 112.004 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -77.49 -27.63 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.75 0.309 . . . . 73.3 110.912 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.824 ' O ' HG23 ' B' ' 63' ' ' VAL . 10.7 mt -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 60.14 110.942 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.35 -51.52 69.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 72.13 110.749 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.86 -35.32 76.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 52.41 110.618 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.0 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 62.43 110.768 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.824 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.3 t -56.11 -32.56 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.861 -0.608 . . . . 53.41 111.085 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -60.58 -30.15 69.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 74.12 110.834 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.95 -0.02 37.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.558 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' B' ' 63' ' ' VAL . 23.8 t -80.42 104.25 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.969 0.414 . . . . 74.32 110.59 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 119.27 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 70.54 110.994 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.0 19.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 74.01 112.782 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.596 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.2 t -80.75 123.87 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.831 0.348 . . . . 75.03 111.019 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -61.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.968 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -166.74 169.1 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.912 -0.585 . . . . 71.54 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.693 HG13 ' O ' ' B' ' 5' ' ' GLN . 21.9 t -121.5 140.43 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.106 -0.497 . . . . 72.14 111.15 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.38 127.99 30.79 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.389 -0.369 . . . . 71.41 111.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.405 ' NE ' HG11 ' B' ' 2' ' ' VAL . 9.6 ttt180 -65.39 109.18 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.824 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.9 t . . . . . 0 N--CA 1.453 -0.325 0 CA-C-N 116.277 -0.419 . . . . 70.32 111.207 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.895 0.379 . . . . 75.31 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.623 HG13 ' NE ' ' A' ' 74' ' ' ARG . 30.9 t -82.28 138.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 64.2 111.218 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -103.57 156.1 18.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.993 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 27.1 mt -138.8 136.96 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.331 -0.395 . . . . 71.33 111.485 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -110.39 113.32 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.159 -0.473 . . . . 71.15 110.415 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 72' ' ' VAL . 21.6 t -109.42 112.8 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.867 0.365 . . . . 64.13 111.509 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.68 126.72 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 72.24 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.41 166.83 30.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.851 0.357 . . . . 73.52 111.388 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 40' ' ' ARG . 4.0 mm? -56.01 141.55 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 53.54 110.825 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.458 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 8.8 p-10 -62.24 82.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 71.14 111.147 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' ND2' ' B' ' 28' ' ' ASN . 6.4 mtt-85 -153.46 125.67 7.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.866 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.673 ' ND1' HD11 ' A' ' 15' ' ' LEU . 43.2 t60 -61.02 -19.4 61.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 72.33 110.888 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -35.96 82.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 71.35 110.62 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.74 HD13 ' HB1' ' A' ' 8' ' ' ALA . 72.1 mt -67.44 -58.54 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 72.12 110.873 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 16' ' ' SER . 4.6 pp -56.75 -33.75 66.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.04 -0.527 . . . . 73.23 110.525 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.689 ' N ' HD12 ' A' ' 15' ' ' LEU . 31.3 t -67.83 -47.46 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 64.41 110.528 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.464 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 14' ' ' LEU . 28.5 t -69.96 -37.98 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 63.45 110.698 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.724 ' HA ' HD12 ' A' ' 22' ' ' LEU . 57.7 m -65.86 -37.55 86.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 72.25 110.5 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -59.91 -40.43 88.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 73.3 110.534 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.2 84.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.804 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 19' ' ' THR . 26.0 mt -64.17 -52.82 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 75.54 110.682 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.56 81.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.933 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.44 -29.42 69.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.79 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -98.32 15.6 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.53 111.233 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.16 31.18 19.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.787 0.327 . . . . 53.02 111.008 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 25' ' ' GLU . 28.1 t -84.33 102.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 63.02 111.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -72.46 114.43 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.965 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -96.34 127.8 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.12 111.046 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -75.14 -33.75 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 72.1 111.016 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 p -173.16 171.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 72.51 110.807 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.51 152.59 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 42.04 111.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 m -163.63 139.0 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.911 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.726 HG12 ' CB ' ' A' ' 44' ' ' SER . 8.1 m -130.99 135.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.399 -0.364 . . . . 74.4 111.435 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 144.78 44.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.923 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -59.57 117.85 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.106 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.688 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.5 t -67.89 -42.14 81.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 63.51 110.955 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.584 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -177.23 -101.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 40.34 112.599 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 41' ' ' VAL . 7.8 p-10 -100.04 110.59 22.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 74.35 111.042 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.736 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER 53.36 35.48 20.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 74.31 111.107 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.584 HG23 ' H ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -137.42 139.22 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.031 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -133.22 122.93 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 74.01 111.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.688 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.4 mt -89.81 109.29 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.029 -0.532 . . . . 70.43 111.022 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.726 ' CB ' HG12 ' A' ' 34' ' ' VAL . 4.3 m -98.01 140.75 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.843 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -129.49 117.24 20.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.276 -0.42 . . . . 43.44 110.734 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -113.14 125.59 54.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.302 -0.408 . . . . 64.33 111.169 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.4 m -109.87 122.17 46.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.037 -0.529 . . . . 74.21 110.71 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.78 171.12 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 74.22 111.081 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 119.06 21.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.095 -0.502 . . . . 64.54 110.944 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 mmm -149.97 165.85 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.916 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.6 25.8 3.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 74.22 112.601 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.5 99.63 25.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.556 0.217 . . . . 72.15 110.899 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.08 -41.88 71.77 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.395 2.063 . . . . 73.44 112.387 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -33.15 75.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.998 -0.546 . . . . 72.32 110.931 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -77.42 -42.48 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 71.35 110.7 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -74.3 -32.63 62.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 75.0 110.128 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.56 -39.04 31.06 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 74.1 111.906 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -78.7 -30.5 46.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.713 0.292 . . . . 71.33 110.784 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.864 ' O ' HG23 ' A' ' 63' ' ' VAL . 7.9 tt -64.11 -48.15 77.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.933 0.397 . . . . 71.53 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -48.62 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.856 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.98 -39.92 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.603 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.35 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 71.12 110.751 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.8 t -56.97 -30.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 74.43 110.95 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -60.11 -30.42 69.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.05 110.787 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -78.99 -2.7 41.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.444 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.8 t -76.19 104.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.88 0.372 . . . . 74.54 110.791 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt0 -53.12 118.71 3.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.675 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.48 28.23 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.656 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 8' ' ' ALA . 60.0 t -88.28 128.21 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.24 111.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.32 -55.52 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 63.24 111.328 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -163.32 169.14 19.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 73.2 111.35 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG21 HG11 ' A' ' 63' ' ' VAL . 24.5 t -131.25 132.68 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.205 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 131.17 35.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.803 0.335 . . . . 63.23 111.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.623 ' NE ' HG13 ' A' ' 2' ' ' VAL . 33.3 ttt180 -68.17 121.33 15.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.759 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 18.1 t . . . . . 0 N--CA 1.452 -0.325 0 CA-C-N 116.346 -0.388 . . . . 75.21 111.264 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.857 0.36 . . . . 71.32 111.308 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.659 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -124.69 171.15 10.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.135 -0.484 . . . . 72.13 110.927 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' B' ' 48' ' ' PHE . 21.7 mt -141.71 131.96 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.363 -0.381 . . . . 75.25 111.484 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.74 106.13 16.5 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.483 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' VAL . . . . . 0.46 HG13 HG22 ' B' ' 72' ' ' VAL . 21.0 t -102.57 112.88 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.925 0.393 . . . . 54.42 111.625 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 69' ' ' VAL . 5.1 tt0 -95.84 134.71 38.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.073 -0.512 . . . . 75.13 110.693 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.669 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -159.39 162.36 35.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 75.53 111.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.615 ' O ' HD23 ' B' ' 14' ' ' LEU . 6.1 mt -58.87 136.87 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.949 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 10' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' B' ' 41' ' ' VAL . 13.9 t70 -61.15 86.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.881 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.03 149.1 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 62.53 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -71.23 -42.38 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -32.86 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.886 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.669 HD21 ' HB1' ' B' ' 8' ' ' ALA . 10.2 tp -57.55 -46.65 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 70.11 110.826 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.727 HD13 HG21 ' B' ' 34' ' ' VAL . 33.6 tp -57.69 -47.22 82.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 73.21 110.516 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.7 m -63.03 -32.7 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.791 -0.64 . . . . 63.11 110.342 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -46.42 80.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.555 . . . . 73.14 110.437 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 14' ' ' LEU . 40.6 t -63.31 -46.95 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.496 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.649 HG23 ' CE1' ' A' ' 12' ' ' HIS . 21.7 m -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.775 -0.648 . . . . 41.42 110.095 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -39.53 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 75.32 110.688 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.98 -44.56 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 70.35 110.599 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.604 HD23 HD11 ' B' ' 59' ' ' LEU . 1.8 mt -74.02 -35.87 64.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.674 . . . . 75.11 110.392 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -28.73 69.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 75.2 111.065 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.11 -30.67 49.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.968 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.61 16.8 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.253 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt 54.76 33.36 19.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.419 -0.355 . . . . 75.5 111.103 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 22' ' ' LEU . 61.1 t -59.52 89.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 53.34 110.551 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ASN . . . . . 0.406 ' ND2' ' NH1' ' A' ' 11' ' ' ARG . 13.2 t-20 -63.88 107.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.02 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.629 HG21 ' HB3' ' B' ' 46' ' ' PHE . 3.4 mt -96.24 135.32 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.882 -0.599 . . . . 75.34 110.264 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.5 mt -74.56 -21.27 59.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 74.53 110.45 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.446 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -156.19 131.3 9.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.554 179.22 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.537 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -131.21 128.79 40.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.09 -0.505 . . . . 74.31 110.606 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.7 p -161.09 140.62 10.55 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.969 0.414 . . . . 63.14 111.671 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.727 HG21 HD13 ' B' ' 15' ' ' LEU . 9.8 p -131.1 135.02 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.995 -0.548 . . . . 72.43 111.018 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 t -136.64 153.97 50.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.043 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.65 121.51 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.821 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -28.02 54.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.064 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.805 ' N ' HG23 ' B' ' 41' ' ' VAL . . . 167.44 -125.88 1.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.621 -0.8 . . . . 71.54 112.535 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.1 108.42 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 74.2 110.919 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 56.19 37.88 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 65.54 111.048 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.805 HG23 ' N ' ' B' ' 38' ' ' GLY . 1.4 m -137.34 142.69 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.006 -0.543 . . . . 72.23 111.161 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.05 126.63 28.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 44.34 111.047 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.407 HG23 ' O ' ' B' ' 43' ' ' ILE . 2.8 tt -112.14 126.49 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 156.96 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 61.43 110.666 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -138.15 117.91 13.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.315 -0.402 . . . . 75.41 110.461 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.629 ' HB3' HG21 ' B' ' 29' ' ' ILE . 61.8 m-85 -122.54 125.18 45.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.236 -0.438 . . . . 74.55 111.347 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 30' ' ' LEU . 30.4 m -112.85 115.39 28.39 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.845 -0.616 . . . . 74.41 109.761 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.717 ' CZ ' HD11 ' B' ' 56' ' ' LEU . 1.0 OUTLIER -145.11 171.15 14.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.997 0.427 . . . . 75.24 111.635 -179.23 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -88.57 164.31 15.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.836 -0.62 . . . . 73.22 110.872 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.7 ttp -109.13 162.14 14.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.349 -0.387 . . . . 70.1 111.178 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.15 -70.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.815 -0.707 . . . . 74.52 112.376 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.01 100.82 30.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.613 0.244 . . . . 63.05 110.696 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.29 -25.3 9.66 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.613 2.209 . . . . 52.15 112.69 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -44.35 96.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 73.14 111.066 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' HIS . . . . . 0.529 ' NE2' HD12 ' B' ' 56' ' ' LEU . 2.3 p-80 -77.63 -40.7 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.46 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.717 HD11 ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -64.46 -39.79 94.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 53.33 109.869 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -41.45 58.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.716 -0.754 . . . . 72.44 111.465 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -33.34 73.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.293 . . . . 73.3 110.845 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.877 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.3 OUTLIER -63.91 -47.99 78.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.385 . . . . 60.14 110.958 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.41 -50.17 74.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 72.13 110.856 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.92 -36.81 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 52.41 110.645 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 62.43 110.833 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.877 HG23 ' O ' ' B' ' 59' ' ' LEU . 16.7 t -57.27 -32.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 53.41 111.065 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -60.72 -27.95 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.806 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -83.54 3.47 32.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.624 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.9 t -81.5 104.21 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 120.932 0.396 . . . . 74.32 110.727 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.94 120.11 5.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.987 -0.551 . . . . 70.54 110.852 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.438 ' HA2' HD12 ' B' ' 9' ' ' LEU . . . 110.11 -24.04 19.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 74.01 112.622 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.487 HG13 ' O ' ' B' ' 7' ' ' GLU . 45.5 t -82.17 122.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 75.03 111.047 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -60.81 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.83 169.08 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 71.54 110.989 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.677 HG21 HG11 ' B' ' 63' ' ' VAL . 21.7 t -130.17 137.57 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.185 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.22 125.02 25.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.211 -0.45 . . . . 71.41 111.099 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -65.93 112.74 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 17.4 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 70.32 111.158 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.794 0.331 . . . . 75.31 111.199 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.07 144.94 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.197 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -99.57 162.25 13.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.264 -0.425 . . . . 74.21 110.986 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.666 HD11 ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt -142.53 132.02 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 71.33 111.588 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.474 ' HB2' HG22 ' A' ' 75' ' ' VAL . 5.3 tt0 -106.37 108.45 19.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.09 -0.505 . . . . 71.15 110.504 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.446 HG13 HG22 ' A' ' 72' ' ' VAL . 18.5 t -104.24 112.93 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 120.868 0.366 . . . . 64.13 111.617 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.552 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.7 mt-10 -92.72 125.69 37.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.564 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.41 157.0 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 73.52 111.386 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.725 ' CD1' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -52.05 151.57 3.63 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.219 -0.446 . . . . 53.54 110.742 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 31.7 p-10 -64.18 87.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 71.14 111.769 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.626 HH21 HD22 ' A' ' 9' ' ' LEU . 4.0 tpp180 -153.74 116.94 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.598 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.658 ' ND1' HD12 ' B' ' 29' ' ' ILE . 2.0 t60 -53.34 -29.24 33.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.764 0.316 . . . . 72.33 110.85 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -52.18 -30.17 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.355 -0.384 . . . . 71.35 110.839 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.876 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.0 mm? -67.54 -45.96 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.12 110.54 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.639 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.5 mm? -61.13 -46.68 89.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.801 -0.636 . . . . 73.23 110.643 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 t -63.61 -40.21 96.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 64.41 110.428 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -41.78 96.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.6 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 14' ' ' LEU . 39.5 t -68.3 -36.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 63.45 110.792 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.621 HG22 ' OG ' ' B' ' 16' ' ' SER . 65.9 m -68.42 -38.68 81.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.25 110.504 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -40.45 97.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 73.3 110.665 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.88 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 74.43 110.886 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD13 HG12 ' A' ' 29' ' ' ILE . 10.3 mt -66.26 -46.29 77.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.696 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.07 75.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.858 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.96 -29.49 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.722 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 4.3 mp0 -109.95 28.41 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.941 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 5.6 pttt 47.0 31.78 1.65 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 53.02 111.127 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.81 111.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 63.02 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -80.1 117.6 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.644 HG12 HD13 ' A' ' 22' ' ' LEU . 3.3 mp -96.34 131.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.08 -33.5 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 72.1 111.167 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.652 ' OG ' HG23 ' B' ' 35' ' ' THR . 4.3 m -173.12 171.59 4.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 72.51 111.084 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.71 145.0 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 42.04 111.046 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -163.56 135.5 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 71.53 111.067 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.727 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.3 p -131.06 140.11 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.351 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -136.57 139.82 42.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -68.29 115.56 7.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.963 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.457 ' HB3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.91 -51.01 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 63.51 110.87 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -129.95 -91.78 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.824 -0.703 . . . . 40.34 112.411 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.94 -73.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 74.35 110.834 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -97.38 34.0 1.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 74.31 110.515 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.5 m -137.43 111.43 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.753 -0.658 . . . . 74.23 111.375 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -111.83 119.38 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.009 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.727 ' C ' HG23 ' A' ' 34' ' ' VAL . 26.4 mt -89.87 116.66 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.43 111.225 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.496 ' OG ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -97.97 148.97 22.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.755 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ARG . . . . . 0.544 ' HD3' HG21 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -140.45 117.17 10.94 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.183 -0.462 . . . . 43.44 110.579 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -118.32 143.69 46.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.153 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.6 m -124.83 128.0 48.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.6 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 4' ' ' ILE . 2.0 p90 -150.64 170.82 18.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.315 -0.402 . . . . 74.22 111.088 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -137.33 112.0 8.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.086 -0.506 . . . . 64.54 110.943 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -150.01 153.65 36.88 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.955 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.43 26.39 13.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.484 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.37 101.59 36.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.52 0.2 . . . . 72.15 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.44 -37.47 17.3 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.389 2.06 . . . . 73.44 112.32 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.01 82.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.027 -0.533 . . . . 72.32 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -40.68 43.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 71.35 110.438 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -32.84 72.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 75.0 109.902 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.37 -44.0 29.29 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 74.1 111.638 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -30.89 68.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 71.33 110.693 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.1 -49.88 72.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 71.53 110.86 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -46.56 85.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.961 -0.563 . . . . 71.12 110.833 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.743 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.07 97.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.809 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 59' ' ' LEU . 13.1 t -57.73 -29.98 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.883 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -61.42 -29.2 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 71.05 110.807 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -80.68 -1.06 40.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.272 -0.422 . . . . 74.2 111.446 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.4 t -76.11 104.11 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.961 0.41 . . . . 74.54 110.74 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.27 120.78 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.616 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.549 ' HA3' HD11 ' A' ' 9' ' ' LEU . . . 110.14 -23.14 21.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.678 -0.772 . . . . 72.24 112.513 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.696 HG22 ' HB2' ' A' ' 8' ' ' ALA . 38.4 t -87.13 123.51 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.24 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -54.4 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.076 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 73.2 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.526 HG21 ' CG1' ' A' ' 63' ' ' VAL . 21.7 t -131.39 137.07 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.158 -0.473 . . . . 73.25 111.279 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.39 127.83 30.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.282 -0.417 . . . . 63.23 111.324 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.32 113.51 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.763 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 1.4 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 75.21 110.871 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.904 0.383 . . . . 71.32 111.33 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.02 157.67 28.38 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.1 -0.5 . . . . 72.13 110.884 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.836 HD11 ' CE1' ' B' ' 48' ' ' PHE . 2.9 mp -137.34 132.06 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.384 -0.371 . . . . 75.25 111.357 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -106.29 106.48 17.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.132 -0.486 . . . . 65.12 110.529 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -103.55 112.89 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.327 -0.397 . . . . 54.42 111.477 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.571 ' O ' HG13 ' B' ' 69' ' ' VAL . 2.8 tp10 -94.13 139.24 31.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.724 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.42 158.72 32.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.333 -0.394 . . . . 75.53 111.152 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.794 ' O ' HD12 ' B' ' 14' ' ' LEU . 0.7 OUTLIER -59.5 140.3 56.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.874 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.78 102.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -153.39 169.19 23.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.845 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.92 31.29 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.831 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.37 -45.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.794 HD12 ' O ' ' B' ' 9' ' ' LEU . 73.8 mt -55.89 -39.77 72.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 70.11 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.676 ' HG ' HG21 ' B' ' 34' ' ' VAL . 9.6 mp -59.21 -55.36 35.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 73.21 110.358 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.621 ' OG ' HG22 ' A' ' 19' ' ' THR . 1.1 m -58.91 -31.01 68.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 63.11 110.197 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.79 -47.68 79.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 73.14 110.379 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 14' ' ' LEU . 47.4 t -64.93 -41.98 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.963 -0.562 . . . . 75.1 110.615 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.541 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.52 -38.5 80.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 41.42 110.21 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.96 -40.26 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 75.32 110.707 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.35 91.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 70.35 110.579 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' B' ' 59' ' ' LEU . 68.1 mt -73.85 -33.55 64.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.836 -0.62 . . . . 75.11 110.613 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.35 -23.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 75.2 111.197 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -52.42 -30.96 32.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.055 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -111.52 18.45 19.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.176 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp 52.43 28.67 6.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 75.5 111.272 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.55 96.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 53.34 110.844 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -64.0 100.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.776 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.658 HD12 ' ND1' ' A' ' 12' ' ' HIS . 16.3 mt -83.42 136.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 75.34 110.728 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 91.3 mt -74.73 -21.47 59.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 74.53 111.194 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.621 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.9 OUTLIER -160.3 131.09 5.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 64.02 111.311 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.639 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -128.2 130.45 48.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.952 -0.567 . . . . 74.31 110.553 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 45' ' ' ARG . 41.3 t -159.6 132.71 6.93 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.828 -0.349 . . . . 63.14 111.509 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.676 HG21 ' HG ' ' B' ' 15' ' ' LEU . 11.5 p -131.06 126.67 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.16 -0.473 . . . . 72.43 111.308 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.652 HG23 ' OG ' ' A' ' 31' ' ' SER . 78.7 m -136.55 152.77 50.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.921 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -84.08 136.86 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.606 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -83.7 -32.4 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.807 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.09 -92.44 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.279 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.28 -69.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 74.2 110.765 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -98.17 34.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.54 110.467 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.482 ' O ' HG13 ' B' ' 41' ' ' VAL . 13.8 p -137.4 119.93 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.795 -0.639 . . . . 72.23 111.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.73 148.04 33.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 44.34 111.036 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.606 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.0 mt -130.11 114.2 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.226 -0.443 . . . . 62.24 111.374 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.04 151.63 20.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.693 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.458 ' NH1' HG11 ' B' ' 75' ' ' VAL . 8.5 mtp85 -138.69 117.31 12.17 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.487 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' B' ' 29' ' ' ILE . 71.1 m-85 -120.96 125.22 46.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.164 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 69.2 m -115.04 115.33 26.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.913 -0.585 . . . . 74.41 109.829 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.836 ' CE1' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -145.78 171.32 14.94 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.023 0.44 . . . . 75.24 111.471 -179.472 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.43 159.86 17.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.853 -0.612 . . . . 73.22 110.608 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ptp -109.04 151.8 25.88 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.281 -0.418 . . . . 70.1 111.249 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.98 -63.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.92 -0.657 . . . . 74.52 112.349 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.38 140.91 21.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.638 0.256 . . . . 63.05 110.78 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.76 -34.92 2.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 52.15 112.489 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.84 -35.37 80.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.973 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -77.54 -43.72 31.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.756 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -32.53 64.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.277 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.42 -39.94 29.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.689 -0.767 . . . . 72.44 111.921 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -77.71 -29.3 51.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.725 0.298 . . . . 73.3 110.881 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.835 ' O ' HG23 ' B' ' 63' ' ' VAL . 8.3 tt -63.72 -48.12 78.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 60.14 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.37 -49.91 75.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.826 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.34 -37.41 83.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 52.41 110.565 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.87 98.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 62.43 110.82 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.835 HG23 ' O ' ' B' ' 59' ' ' LEU . 20.8 t -57.12 -31.68 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 53.41 110.949 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -61.39 -28.69 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.857 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.4 -0.22 36.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 73.03 111.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 63' ' ' VAL . 25.1 t -77.4 104.2 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 120.927 0.394 . . . . 74.32 110.633 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.417 ' O ' HD22 ' B' ' 14' ' ' LEU . 14.3 mt-10 -52.28 119.75 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.913 -0.585 . . . . 70.54 110.939 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.528 ' HA3' HD22 ' B' ' 14' ' ' LEU . . . 110.18 -24.18 19.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 74.01 112.742 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.571 HG13 ' O ' ' B' ' 7' ' ' GLU . 44.1 t -81.62 124.33 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 120.856 0.36 . . . . 75.03 110.988 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -68.42 -59.14 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.964 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.82 169.1 13.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.883 -0.599 . . . . 71.54 111.03 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.481 HG21 HG11 ' B' ' 63' ' ' VAL . 21.5 t -128.3 130.02 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.102 -0.499 . . . . 72.14 111.151 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -135.34 127.81 30.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.348 -0.387 . . . . 71.41 111.173 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.91 117.42 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.458 HG11 ' NH1' ' B' ' 45' ' ' ARG . 98.6 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 70.32 111.237 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 30' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.902 0.382 . . . . 75.31 111.183 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t -82.27 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 64.2 111.258 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -112.53 168.42 9.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.99 -0.55 . . . . 74.21 110.633 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.518 HD12 ' CE2' ' A' ' 48' ' ' PHE . 79.6 mt -148.67 142.63 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.323 -0.399 . . . . 71.33 111.168 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -112.34 130.09 56.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.07 -0.514 . . . . 71.15 110.605 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 72' ' ' VAL . 18.7 t -118.41 112.66 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.911 0.386 . . . . 64.13 111.323 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.7 tt0 -89.23 128.7 35.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.054 -0.521 . . . . 72.24 110.526 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.731 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.49 163.74 35.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.392 -0.367 . . . . 73.52 111.309 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.18 153.69 4.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.846 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.74 ' OD1' HG22 ' A' ' 36' ' ' THR . 30.3 t0 -65.43 77.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 71.14 111.132 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -153.5 125.91 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.745 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.903 ' ND1' HD12 ' B' ' 29' ' ' ILE . 30.3 t60 -57.54 -25.15 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 72.33 110.845 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -35.57 61.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 71.35 110.631 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.819 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.9 mm? -65.76 -43.54 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 72.12 110.617 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD11 ' HB ' ' A' ' 34' ' ' VAL . 3.5 mm? -62.41 -50.39 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.89 -0.595 . . . . 73.23 110.572 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 p -61.33 -37.04 81.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.844 -0.616 . . . . 64.41 110.496 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.85 -43.19 93.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.611 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 14' ' ' LEU . 23.8 t -70.3 -34.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 63.45 110.665 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 m -69.26 -35.39 76.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 72.25 110.461 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -62.08 -40.08 94.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.525 . . . . 73.3 110.62 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.83 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.985 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 27' ' ' VAL . 92.7 mt -64.3 -55.66 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 75.54 110.816 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.09 -32.08 73.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.984 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -29.84 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.929 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -105.09 22.77 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.14 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 56.91 47.16 18.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.874 0.369 . . . . 53.02 110.939 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' LEU . 29.9 t -97.41 122.59 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.139 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -82.24 123.04 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.02 110.797 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD12 HD23 ' B' ' 15' ' ' LEU . 36.0 mt -96.38 113.52 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.295 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 1' ' ' LEU . 11.1 mt -75.13 -29.9 60.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.819 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.27 166.13 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 72.51 110.703 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.6 145.63 5.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 42.04 111.282 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 91.2 p -163.78 136.97 5.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.338 -0.392 . . . . 71.53 111.182 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 32' ' ' ALA . 11.1 p -131.02 142.56 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.4 111.291 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -136.62 148.23 47.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.853 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.74 HG22 ' OD1' ' A' ' 10' ' ' ASP . 22.5 p -73.0 110.01 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.926 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.735 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -56.69 -66.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 63.51 111.064 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.64 -103.79 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.67 -0.776 . . . . 40.34 112.54 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.5 t0 -100.25 110.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 74.35 111.041 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mmt-85 58.55 38.08 25.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 39' ' ' ASP . 21.4 t -137.31 132.24 45.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 74.23 111.145 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -131.01 116.03 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 74.01 111.211 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.735 HD11 ' OG ' ' A' ' 37' ' ' SER . 18.6 mt -89.82 109.88 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.15 -0.477 . . . . 70.43 110.962 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.01 151.51 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.14 111.144 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -143.76 124.82 14.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.926 -0.579 . . . . 43.44 110.205 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.612 ' HE1' HG11 ' A' ' 18' ' ' VAL . 4.0 m-85 -124.9 131.08 53.48 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.937 0.399 . . . . 64.33 111.546 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -106.45 115.79 30.82 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.886 -0.597 . . . . 74.21 110.386 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CE2' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -150.68 158.92 44.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.219 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.66 163.8 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.901 -0.59 . . . . 64.54 110.749 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.554 ' HG3' HD12 ' A' ' 56' ' ' LEU . 4.8 mmt -148.74 154.7 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 73.44 111.115 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.07 -42.96 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.819 -0.705 . . . . 74.22 112.388 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.83 143.29 26.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.63 0.252 . . . . 72.15 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.32 -31.52 5.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.579 2.186 . . . . 73.44 112.451 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -62.89 -31.6 72.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.086 -0.506 . . . . 72.32 110.987 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.754 ' O ' HD13 ' A' ' 59' ' ' LEU . 20.6 m80 -77.53 -44.38 28.86 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.244 -0.435 . . . . 71.35 110.681 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 50' ' ' MET . 9.8 tt -71.3 -34.13 70.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 75.0 110.231 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.05 -38.57 34.9 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.761 -0.733 . . . . 74.1 111.904 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -75.9 -29.41 58.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.719 0.295 . . . . 71.33 110.889 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 63' ' ' VAL . 3.1 mp -61.46 -49.3 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.938 0.399 . . . . 71.53 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -58.16 -45.43 87.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 71.12 110.862 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.75 -40.89 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.76 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.67 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 71.12 110.822 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.7 t -57.49 -29.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 74.43 110.88 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.74 -30.27 69.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 71.05 110.723 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.75 -4.4 43.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 74.2 111.514 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 63' ' ' VAL . 29.8 t -77.64 104.17 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.898 0.38 . . . . 74.54 110.642 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.608 ' O ' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -53.51 119.6 5.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.033 -0.53 . . . . 74.1 110.719 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.19 -21.72 24.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.777 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 8' ' ' ALA . 46.8 t -84.81 125.34 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 120.881 0.372 . . . . 72.24 111.08 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.31 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 63.24 111.433 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -163.63 169.21 18.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 73.2 111.247 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.55 HG21 HG11 ' A' ' 63' ' ' VAL . 24.1 t -128.85 134.93 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.942 -0.572 . . . . 73.25 111.264 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.62 138.73 43.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.853 0.358 . . . . 63.23 111.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -69.25 122.99 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.79 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 77.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 75.21 111.148 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 2' ' ' VAL . . . . . 0.536 HG12 ' CD1' ' B' ' 4' ' ' ILE . 35.7 t . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.03 0.443 . . . . 71.32 111.336 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.787 ' C ' HD12 ' B' ' 4' ' ' ILE . . . -98.69 128.96 45.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.803 -0.635 . . . . 72.13 110.956 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.787 HD12 ' C ' ' B' ' 3' ' ' ALA . 1.7 mp -125.99 142.61 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 75.25 111.215 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.47 127.46 55.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.929 -0.578 . . . . 65.12 110.375 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.35 112.9 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 120.887 0.375 . . . . 54.42 111.516 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.567 ' O ' HG13 ' B' ' 69' ' ' VAL . 2.3 mp0 -92.13 137.31 32.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.13 -0.486 . . . . 75.13 110.634 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.36 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 75.53 111.248 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' LEU . . . . . 0.768 ' O ' HD12 ' B' ' 14' ' ' LEU . 5.5 tp -57.98 143.45 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.908 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.32 101.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.935 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.24 174.44 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 62.53 110.822 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -97.68 -31.02 12.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.875 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.7 -35.47 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.965 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.768 HD12 ' O ' ' B' ' 9' ' ' LEU . 73.2 mt -60.81 -50.54 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 70.11 110.866 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LEU . . . . . 0.609 ' CD1' HG11 ' B' ' 34' ' ' VAL . 48.7 tp -57.67 -49.43 76.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 73.21 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -61.43 -32.72 72.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.928 -0.578 . . . . 63.11 110.502 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -45.76 79.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 73.14 110.553 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 14' ' ' LEU . 21.3 t -63.73 -45.23 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.972 -0.558 . . . . 75.1 110.612 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.457 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -68.64 -40.79 80.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.834 -0.621 . . . . 41.42 110.164 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -35.96 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 75.32 110.719 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.9 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 70.35 110.692 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.554 ' CD2' HD11 ' B' ' 59' ' ' LEU . 19.3 mt -70.8 -32.54 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.797 -0.638 . . . . 75.11 110.621 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -27.24 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 75.2 111.128 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -56.76 -41.31 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 74.53 110.879 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.51 19.7 11.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 73.12 110.935 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm 53.94 26.2 6.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.308 -0.406 . . . . 75.5 111.125 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.2 t -58.38 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 53.34 110.572 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -64.0 100.6 0.32 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 74.34 111.203 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.903 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -92.53 132.54 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.284 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 47' ' ' THR . 9.0 mt -74.55 -22.42 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 74.53 111.2 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.405 ' H ' HG22 ' B' ' 29' ' ' ILE . 1.4 m -141.68 138.54 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 64.02 111.242 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -144.64 121.62 11.36 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.953 -0.567 . . . . 74.31 110.529 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.3 m -161.99 134.72 5.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.802 0.334 . . . . 63.14 111.574 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.609 HG11 ' CD1' ' B' ' 15' ' ' LEU . 11.4 p -131.08 129.5 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.248 -0.433 . . . . 72.43 111.234 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -136.67 154.08 50.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.937 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -84.99 128.2 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.931 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' HD11 ' B' ' 43' ' ' ILE . 2.4 t -69.75 -66.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.892 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.55 -73.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.711 . . . . 71.54 112.429 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -141.06 -68.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.709 0.29 . . . . 74.2 110.891 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.58 37.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.613 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 t -137.33 122.9 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.002 -0.545 . . . . 72.23 111.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.43 114.55 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 44.34 111.001 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' B' ' 37' ' ' SER . 30.6 mt -98.25 116.03 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.286 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 150.48 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.43 110.678 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' B' ' 33' ' ' SER . 8.1 mtt180 -133.53 117.19 16.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.266 -0.425 . . . . 75.41 110.388 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -130.45 125.29 34.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.048 0.451 . . . . 74.55 111.266 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.546 ' O ' HG22 ' B' ' 29' ' ' ILE . 64.6 m -117.62 115.29 24.79 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.822 -0.626 . . . . 74.41 109.981 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.639 ' CE1' HD13 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -128.04 171.26 12.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.958 0.408 . . . . 75.24 111.612 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.24 165.83 14.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 73.22 110.587 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 5.9 ptm -108.85 148.54 30.45 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.958 0.408 . . . . 70.1 111.302 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.89 -61.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.612 . . . . 74.52 112.392 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -106.51 99.9 27.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.504 0.193 . . . . 63.05 110.874 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.27 -31.43 46.46 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.484 2.123 . . . . 52.15 112.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -36.37 83.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.961 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -77.3 -38.67 50.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.576 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.26 -30.97 63.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 53.33 110.047 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -44.61 22.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.773 -0.727 . . . . 72.44 111.845 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -29.48 60.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.31 . . . . 73.3 110.785 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 63' ' ' VAL . 8.3 tt -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.407 . . . . 60.14 110.824 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.76 -51.2 71.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 72.13 110.67 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.09 -36.29 81.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 52.41 110.473 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 62.43 110.692 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.4 t -55.74 -33.66 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 53.41 110.97 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -62.21 -29.58 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.866 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -82.7 2.26 34.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.653 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' B' ' 63' ' ' VAL . 23.1 t -81.08 104.15 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 120.908 0.385 . . . . 74.32 110.713 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.58 119.75 5.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.542 . . . . 70.54 110.926 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 -24.06 19.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.725 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.567 HG13 ' O ' ' B' ' 7' ' ' GLU . 58.8 t -79.99 122.71 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.843 0.354 . . . . 75.03 110.953 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.78 -60.88 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 75.41 110.97 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -166.79 169.16 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 71.54 111.171 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.476 ' CG2' HG11 ' B' ' 63' ' ' VAL . 21.9 t -122.06 129.62 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.928 -0.578 . . . . 72.14 111.101 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.39 135.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.877 0.37 . . . . 71.41 111.253 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 4' ' ' ILE . 0.1 OUTLIER -69.97 120.27 15.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 73.22 110.972 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 19.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 70.32 111.134 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.854 0.359 . . . . 75.31 111.231 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' VAL . . . . . 0.403 ' CG1' ' CG ' ' A' ' 74' ' ' ARG . 24.2 t -82.17 141.3 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.2 111.229 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ALA . . . . . 0.794 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -107.8 165.92 11.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.041 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 3' ' ' ALA . 13.0 mm -139.87 132.08 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.376 -0.374 . . . . 71.33 111.491 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLN . . . . . 0.481 ' HG3' HG21 ' A' ' 75' ' ' VAL . 1.0 OUTLIER -109.12 104.79 14.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.987 -0.552 . . . . 71.15 110.506 179.648 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.488 HG13 HG22 ' A' ' 72' ' ' VAL . 17.9 t -102.98 112.83 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.32 -0.4 . . . . 64.13 111.365 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -90.02 132.86 35.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.24 110.846 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.3 166.88 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.371 -0.377 . . . . 73.52 111.201 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mt -48.44 146.42 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 53.54 111.199 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 35.9 t0 -64.96 82.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 71.14 111.226 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HB3' HD23 ' A' ' 14' ' ' LEU . 4.7 ttm180 -153.54 139.87 18.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.882 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' HIS . . . . . 0.708 ' ND1' HD11 ' A' ' 15' ' ' LEU . 4.6 t60 -71.49 -9.69 58.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.464 -0.334 . . . . 72.33 110.995 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 71.35 110.785 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.4 mm? -62.42 -56.87 14.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.722 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' B' ' 32' ' ' ALA . 1.0 OUTLIER -56.24 -34.04 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.23 110.72 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.437 ' HA ' HG21 ' B' ' 19' ' ' THR . 15.8 p -66.81 -46.61 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.496 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.8 -41.19 97.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.662 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.2 t -66.6 -41.86 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 63.45 110.77 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 72.25 110.556 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -60.94 -37.61 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 73.3 110.658 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.84 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 74.43 110.958 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' LEU . . . . . 0.652 HD23 HD11 ' A' ' 59' ' ' LEU . 54.7 mt -65.39 -46.18 81.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 75.54 110.818 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.14 -32.56 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.12 111.096 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.89 -32.76 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.946 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.3 tt0 -100.29 19.46 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.189 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.92 34.8 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.082 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 25' ' ' GLU . 23.5 t -82.34 115.36 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 63.02 111.036 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -74.88 111.58 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.02 110.921 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.497 HG12 HD13 ' A' ' 22' ' ' LEU . 3.2 mt -96.38 125.93 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.044 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 49' ' ' GLU . 67.5 mt -75.11 -35.58 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 72.1 111.078 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.555 ' OG ' HG23 ' B' ' 35' ' ' THR . 2.3 m -173.22 171.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 72.51 111.032 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.677 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -166.19 149.12 7.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 42.04 111.164 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.59 130.4 3.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 71.53 110.975 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 44' ' ' SER . 17.9 m -112.19 147.22 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.354 -0.385 . . . . 74.4 111.413 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 t -136.53 134.05 37.12 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.941 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.521 HG22 ' OD2' ' A' ' 10' ' ' ASP . 17.2 p -72.09 102.47 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 71.24 111.118 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 t -90.37 141.77 28.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 63.51 110.701 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.42 -103.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 40.34 112.337 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.78 -69.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 74.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.54 35.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.653 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.3 135.68 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 74.23 111.144 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -126.33 120.15 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.159 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.8 mt -89.9 115.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.111 -0.495 . . . . 70.43 110.809 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.722 ' HA ' HG12 ' A' ' 34' ' ' VAL . 31.4 t -97.96 136.04 38.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 73.14 111.157 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -118.42 141.5 48.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.11 -0.496 . . . . 43.44 110.593 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' PHE . . . . . 0.677 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 16.6 m-85 -147.86 125.52 11.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.994 0.426 . . . . 64.33 111.156 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -110.94 130.03 55.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.53 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -150.76 169.74 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 74.22 111.165 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.8 tm-20 -137.31 116.9 12.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.084 -0.507 . . . . 64.54 111.06 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.531 ' HB2' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -149.86 165.83 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.904 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.92 -32.44 2.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 74.22 112.667 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.42 109.32 1.67 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.596 0.236 . . . . 72.15 110.968 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.05 -33.76 9.2 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.464 2.11 . . . . 73.44 112.376 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -33.38 75.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 72.32 110.897 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -77.44 -44.47 28.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.603 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 50' ' ' MET . 2.1 mp -71.13 -33.52 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.87 -40.3 36.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.707 -0.759 . . . . 74.1 111.84 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -73.44 -32.49 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 71.33 110.773 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 6.3 tp -62.72 -47.07 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.0 0.429 . . . . 71.53 110.944 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.56 -48.94 77.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.852 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.684 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.94 92.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 71.12 110.77 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 17.3 t -57.92 -30.71 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 74.43 110.874 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -61.55 -27.23 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.05 110.951 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -86.63 9.05 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 74.2 111.586 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -85.39 104.21 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.889 0.375 . . . . 74.54 110.858 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -55.27 120.64 7.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 74.1 110.63 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -22.29 23.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 72.24 112.626 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 7' ' ' GLU . 46.5 t -84.58 125.51 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-O 120.815 0.341 . . . . 72.24 111.122 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -73.4 -56.91 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.256 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -166.76 169.16 13.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.98 -0.554 . . . . 73.2 110.962 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 63' ' ' VAL . 20.9 t -126.23 140.78 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.397 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -135.4 127.0 28.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.874 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.403 ' CG ' ' CG1' ' A' ' 2' ' ' VAL . 5.8 ttm180 -69.13 109.3 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.025 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 31.5 t . . . . . 0 N--CA 1.453 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.062 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.853 0.359 . . . . 71.32 111.259 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 3' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -105.51 156.54 18.12 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.066 -0.515 . . . . 72.13 111.006 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 4' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 58.0 mt -146.49 144.88 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.366 -0.379 . . . . 75.25 111.481 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 5' ' ' GLN . . . . . 0.812 ' HG3' HG21 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -118.93 122.5 42.4 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.106 -0.497 . . . . 65.12 110.617 179.746 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.48 112.79 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.273 -0.421 . . . . 54.42 111.589 -179.464 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' GLU . . . . . 0.738 ' CA ' HD12 ' B' ' 43' ' ' ILE . 10.6 tt0 -90.48 130.17 36.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.587 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 8' ' ' ALA . . . . . 0.812 ' HB1' HD22 ' B' ' 14' ' ' LEU . . . -159.31 161.1 35.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 75.53 111.225 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.11 144.13 24.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.774 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -73.71 76.06 1.55 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 73.03 111.433 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.694 ' HB2' HD12 ' B' ' 14' ' ' LEU . 13.6 mmt180 -126.21 140.23 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 62.53 110.626 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -53.8 -50.5 65.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 73.15 111.447 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -37.32 81.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 73.14 111.175 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 14' ' ' LEU . . . . . 0.837 HD21 ' HA3' ' B' ' 68' ' ' GLY . 0.2 OUTLIER -58.15 -39.66 79.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 70.11 111.045 -179.788 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.77 -52.48 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.458 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.3 m -61.24 -32.48 72.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.837 -0.62 . . . . 63.11 110.295 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.14 -45.06 86.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 73.14 110.626 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 14' ' ' LEU . 42.1 t -65.18 -47.02 89.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 75.1 110.63 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.624 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -67.29 -36.02 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.863 -0.608 . . . . 41.42 110.185 179.485 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -68.59 -39.66 80.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 75.32 110.631 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.14 95.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 70.35 110.655 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' LEU . . . . . 0.708 HD23 HD11 ' B' ' 59' ' ' LEU . 93.7 mt -73.65 -31.49 63.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.813 -0.63 . . . . 75.11 110.602 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.78 -22.8 49.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 75.2 111.25 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.48 -34.47 49.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.386 -0.37 . . . . 74.53 111.017 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -109.3 19.78 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.029 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmpm? 54.02 27.56 7.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.387 -0.37 . . . . 75.5 111.218 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.38 92.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 53.34 110.729 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.96 100.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 74.34 110.882 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 29' ' ' ILE . . . . . 0.662 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.7 mt -84.63 136.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 75.34 110.22 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.837 HD11 ' HG2' ' B' ' 49' ' ' GLU . 8.7 mt -74.4 -25.25 59.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 74.53 110.56 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.1 OUTLIER -151.0 135.19 16.8 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.16 -0.473 . . . . 64.02 110.51 179.254 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.76 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -133.73 126.73 31.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.578 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 33' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.2 m -161.82 141.57 10.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.977 0.417 . . . . 63.14 111.698 -179.776 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -131.09 134.57 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.028 -0.533 . . . . 72.43 111.045 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' THR . . . . . 0.555 HG23 ' OG ' ' A' ' 31' ' ' SER . 1.3 m -136.58 154.01 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.009 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 7.5 t -58.39 137.38 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.898 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.4 t -94.01 -29.5 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.022 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' GLY . . . . . 0.733 ' N ' HG23 ' B' ' 41' ' ' VAL . . . 169.35 -116.59 0.66 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.529 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.33 106.6 18.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 74.2 110.949 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.8 ttm105 56.7 38.25 29.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 65.54 110.991 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 41' ' ' VAL . . . . . 0.733 HG23 ' N ' ' B' ' 38' ' ' GLY . 2.7 m -137.27 145.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 72.23 111.122 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.3 130.24 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.408 . . . . 44.34 111.049 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' ILE . . . . . 0.738 HD12 ' CA ' ' B' ' 7' ' ' GLU . 1.6 tp -111.46 130.36 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.263 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -97.94 158.16 15.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.53 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 33' ' ' SER . 2.4 ttt-85 -138.93 117.71 12.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.289 -0.414 . . . . 75.41 110.342 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.639 ' HB3' HG21 ' B' ' 29' ' ' ILE . 88.8 m-85 -125.7 125.21 42.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.252 -0.431 . . . . 74.55 111.569 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 48.4 m -112.18 115.06 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.866 -0.606 . . . . 74.41 109.553 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 48' ' ' PHE . . . . . 0.415 ' HB3' HG23 ' B' ' 29' ' ' ILE . 2.7 p90 -138.0 171.42 14.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 75.24 111.583 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.837 ' HG2' HD11 ' B' ' 30' ' ' LEU . 67.2 mm-40 -88.16 165.39 15.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.696 -0.684 . . . . 73.22 110.737 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.07 158.25 17.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.31 -0.404 . . . . 70.1 111.191 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.21 -57.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.839 -0.696 . . . . 74.52 112.547 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.38 100.95 32.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.63 0.253 . . . . 63.05 110.966 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.59 -33.81 60.23 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.503 2.135 . . . . 52.15 112.369 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.23 -38.26 89.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 73.14 110.972 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -77.58 -42.19 36.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 74.11 110.717 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -71.46 -32.91 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.17 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.11 -39.58 26.96 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 72.44 111.879 179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -26.65 52.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.689 0.281 . . . . 73.3 110.889 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 59' ' ' LEU . . . . . 0.824 ' O ' HG23 ' B' ' 63' ' ' VAL . 19.2 tp -62.28 -46.41 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.419 . . . . 60.14 110.997 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.66 -50.76 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.88 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.79 -36.49 81.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 52.41 110.536 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.48 96.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.729 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 63' ' ' VAL . . . . . 0.824 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.4 t -56.5 -30.8 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 53.41 111.003 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -30.88 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.12 110.777 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -76.12 -5.2 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.467 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 66' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 63' ' ' VAL . 35.2 t -75.44 104.13 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.858 0.361 . . . . 74.32 110.601 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.87 119.52 4.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 70.54 110.866 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.837 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.12 -23.83 20.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 74.01 112.768 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.576 HG22 ' HB2' ' B' ' 8' ' ' ALA . 65.3 t -80.42 118.8 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.882 0.373 . . . . 75.03 111.05 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.15 -51.07 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 75.41 111.179 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.7 169.15 13.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.23 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 72' ' ' VAL . . . . . 0.537 HG21 HG11 ' B' ' 63' ' ' VAL . 21.5 t -131.43 136.42 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.047 -0.524 . . . . 72.14 110.961 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.57 138.06 42.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.871 0.367 . . . . 71.41 111.565 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -71.85 117.91 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 73.22 110.565 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.812 HG21 ' HG3' ' B' ' 5' ' ' GLN . 48.7 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.027 0.441 . . . . 70.32 111.396 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.877 0.37 . . . . 2.43 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.05 146.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.72 111.221 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -113.22 170.93 7.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.186 -0.461 . . . . 0.57 111.016 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.635 HD11 ' CE2' ' A' ' 48' ' ' PHE . 29.2 mt -136.83 134.07 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.99 111.462 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.433 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.4 mt-30 -108.03 104.55 14.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.093 -0.503 . . . . 1.32 110.435 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 72' ' ' VAL . 20.6 t -103.17 112.66 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.255 -0.43 . . . . 0.38 111.568 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.515 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.5 tt0 -90.3 127.94 36.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.124 -0.489 . . . . 2.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.846 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.36 165.21 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.898 0.38 . . . . 0.42 111.355 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.726 ' O ' HD12 ' A' ' 14' ' ' LEU . 57.4 mt -54.16 148.18 11.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 1.81 110.949 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -65.06 84.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 2.15 111.278 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -153.71 124.4 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 2.88 110.682 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CG ' HD12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -58.27 -30.37 66.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.793 0.33 . . . . 1.62 110.645 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -38.56 64.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 3.18 110.819 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.846 HD13 ' HB1' ' A' ' 8' ' ' ALA . 75.4 mt -64.87 -43.73 92.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.694 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.7 mm? -62.5 -46.1 89.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 1.78 110.602 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 t -61.84 -40.78 96.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 1.19 110.424 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.79 -43.48 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 1.75 110.583 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 14' ' ' LEU . 34.4 t -66.23 -40.01 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.016 -0.538 . . . . 0.54 110.837 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.748 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.9 m -65.6 -36.88 85.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.5 110.424 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.98 -41.4 96.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 3.06 110.54 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.52 87.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 0.55 110.816 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 19' ' ' THR . 17.0 mt -65.65 -49.73 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.971 -0.559 . . . . 0.64 110.773 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.05 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.58 111.068 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -59.62 -31.05 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 1.62 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 23.74 13.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 2.57 111.118 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mttt 56.73 32.44 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.386 -0.37 . . . . 3.45 111.021 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -80.94 97.55 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.74 111.117 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.21 113.5 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 2.25 110.907 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.49 128.77 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.75 111.131 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.64 -34.03 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.85 110.957 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -173.02 169.44 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.22 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.09 151.73 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.41 111.227 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -163.72 132.82 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 1.47 110.776 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG23 ' C ' ' A' ' 43' ' ' ILE . 9.8 p -123.27 140.78 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.326 -0.397 . . . . 1.18 111.424 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -136.75 151.49 49.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.029 -0.532 . . . . 1.49 110.769 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -74.13 108.94 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 1.53 111.055 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.778 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -59.14 -56.32 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 1.41 110.876 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -129.73 -87.7 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.833 -0.698 . . . . 1.34 112.406 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.73 -76.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 2.69 110.73 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -96.81 33.35 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.06 0.457 . . . . 4.06 110.417 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.1 m -137.96 125.86 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 1.33 111.16 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.91 125.91 44.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.48 111.305 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.778 HD11 ' OG ' ' A' ' 37' ' ' SER . 8.1 mt -89.64 111.12 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.72 110.815 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -97.85 129.81 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.22 111.233 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.25 142.16 43.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.061 -0.518 . . . . 3.33 110.61 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.59 125.45 17.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.923 0.392 . . . . 2.08 111.365 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -110.43 116.28 31.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.971 -0.559 . . . . 0.82 110.583 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -151.1 146.84 26.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 1.52 111.166 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.74 145.44 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 2.47 110.806 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.437 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 1.1 mmt -150.06 161.46 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 4.78 111.088 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.76 -41.54 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 1.2 112.453 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.76 133.15 40.28 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.543 0.211 . . . . 1.99 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -78.04 -27.9 5.33 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.53 2.153 . . . . 1.21 112.46 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -60.02 -37.38 79.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 3.3 110.971 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -44.53 37.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 2.88 110.558 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -67.42 -31.99 72.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 1.89 110.059 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.82 -43.8 33.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.773 -0.727 . . . . 0.78 111.851 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -31.03 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.727 0.299 . . . . 2.6 110.954 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -61.34 -47.8 84.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.943 0.401 . . . . 1.62 111.019 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -58.33 -48.2 81.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.988 -0.551 . . . . 1.32 110.924 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.49 -38.59 87.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 1.97 110.733 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.9 97.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.63 110.82 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 12.1 t -57.72 -29.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.51 110.853 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -60.76 -29.77 69.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 2.91 110.776 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.17 -1.57 40.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 1.37 111.519 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.5 t -77.87 103.49 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.811 0.338 . . . . 0.54 110.869 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -52.56 120.12 5.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 2.43 110.661 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.18 24.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.47 112.563 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.9 t -87.37 124.25 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.43 111.073 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -54.82 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.39 111.165 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -166.82 169.3 13.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.03 -0.532 . . . . 1.97 111.041 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.428 HG22 HG13 ' A' ' 6' ' ' VAL . 25.3 t -126.54 139.54 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.48 111.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -135.77 124.59 23.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.9 111.048 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -63.54 113.7 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 3.09 110.821 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.7 t -85.85 137.83 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.72 111.262 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 p -148.56 162.41 39.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 2.52 110.877 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.7 m -133.29 163.65 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 4.53 110.93 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -144.68 142.16 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 4.69 111.104 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.196 -0.907 . . . . 6.73 111.114 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' B' ' 30' ' ' LEU . 2.8 tp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.815 0.34 . . . . 1.97 111.166 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.1 138.37 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.81 111.242 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.602 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -98.68 167.88 10.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.51 111.074 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.493 HD11 ' HE1' ' B' ' 48' ' ' PHE . 34.3 mt -142.23 131.96 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.349 -0.387 . . . . 1.22 111.452 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -107.15 113.39 26.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.116 -0.493 . . . . 1.33 110.708 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.43 112.85 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.35 111.399 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.608 ' O ' HG13 ' B' ' 69' ' ' VAL . 5.6 tt0 -94.09 135.2 35.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.94 110.801 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.517 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -159.37 161.68 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.49 111.201 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.24 142.14 44.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.99 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.505 ' HA ' ' HB2' ' B' ' 42' ' ' ALA . 33.2 t0 -65.63 90.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 2.09 111.067 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -136.14 171.09 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.09 110.801 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.42 -12.57 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 2.34 111.333 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -100.5 -33.71 10.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 3.64 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.669 HD21 ' O ' ' B' ' 67' ' ' GLU . 12.6 mt -58.41 -40.72 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.39 110.958 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.833 HD11 HG11 ' B' ' 34' ' ' VAL . 0.2 OUTLIER -60.17 -56.96 15.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.06 -0.518 . . . . 1.96 110.316 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -58.85 -28.78 66.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 1.39 110.204 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -48.11 74.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.56 110.327 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 14' ' ' LEU . 47.2 t -65.41 -44.09 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.544 . . . . 0.46 110.413 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.521 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.88 -37.38 84.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.74 110.098 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -44.97 59.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.765 -0.652 . . . . 2.82 110.853 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.03 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.59 110.74 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.553 HD12 ' HE2' ' B' ' 46' ' ' PHE . 40.8 mt -78.64 -32.7 47.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.782 -0.644 . . . . 0.6 110.551 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.36 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.75 111.063 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.86 -28.3 9.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 2.02 111.035 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.04 16.34 22.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 2.25 111.185 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 mttt 50.95 30.33 5.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.464 -0.334 . . . . 2.75 111.264 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.93 97.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.54 110.747 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.72 110.58 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 2.07 110.834 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.626 HG22 ' H ' ' B' ' 31' ' ' SER . 17.4 mt -96.38 136.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.619 . . . . 0.47 110.65 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 47' ' ' THR . 94.2 mt -74.23 -22.29 59.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.75 111.037 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.626 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -163.04 130.83 3.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.056 0.455 . . . . 1.23 111.115 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.4 126.84 41.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.955 -0.566 . . . . 0.4 110.508 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.3 p -156.75 141.18 16.67 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 1.2 111.606 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.833 HG11 HD11 ' B' ' 15' ' ' LEU . 10.5 p -131.37 134.61 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.67 111.142 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.8 p -136.76 143.83 43.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.123 -0.489 . . . . 1.56 110.967 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.5 p -76.39 128.16 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.44 110.964 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.444 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -70.38 -67.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.69 110.898 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -70.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.821 -0.704 . . . . 1.42 112.442 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -68.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 2.22 110.809 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -97.04 37.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 3.9 110.578 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 122.5 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.0 -0.546 . . . . 1.61 111.282 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' B' ' 10' ' ' ASP . . . -113.77 115.84 28.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.7 110.968 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.444 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.8 mt -102.87 113.93 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.156 -0.474 . . . . 1.71 111.366 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 25.0 m -97.9 154.44 17.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.09 110.527 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.96 116.69 10.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.791 0.329 . . . . 2.84 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.553 ' HE2' HD12 ' B' ' 22' ' ' LEU . 15.9 m-30 -116.2 124.78 51.11 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.004 -0.543 . . . . 1.35 111.085 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' LEU . 61.8 m -111.56 117.59 33.41 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.016 -0.538 . . . . 0.6 109.913 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.493 ' HE1' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -146.35 171.95 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 1.68 111.448 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -87.59 162.69 17.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.901 -0.591 . . . . 2.25 110.757 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.466 ' CG ' HD13 ' B' ' 56' ' ' LEU . 0.0 OUTLIER -108.99 163.15 13.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.956 0.408 . . . . 5.07 111.261 -179.615 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.56 -64.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.929 -0.653 . . . . 1.45 112.219 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.48 128.8 25.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.57 0.224 . . . . 2.06 110.701 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -29.29 17.1 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.418 2.078 . . . . 1.45 112.404 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -64.92 -37.07 86.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 3.25 110.929 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -76.45 -44.52 35.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 2.3 110.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' B' ' 50' ' ' MET . 6.6 tt -67.03 -32.08 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.74 110.081 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.51 27.01 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.746 -0.74 . . . . 0.78 111.866 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.27 -26.59 62.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.716 0.293 . . . . 2.38 110.811 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.779 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.4 OUTLIER -60.84 -54.04 49.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 1.76 110.888 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -47.9 80.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.786 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -35.56 79.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 1.74 110.663 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.08 -45.0 82.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.59 110.785 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.779 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.5 t -57.1 -30.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.46 111.005 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -61.61 -29.99 70.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 2.45 110.74 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -81.08 0.26 36.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.35 111.569 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' B' ' 63' ' ' VAL . 22.0 t -82.2 103.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.5 110.78 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.669 ' O ' HD21 ' B' ' 14' ' ' LEU . 14.4 mt-10 -53.7 119.77 5.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.059 -0.518 . . . . 2.66 110.985 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.29 -24.3 18.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.49 112.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.608 HG13 ' O ' ' B' ' 7' ' ' GLU . 46.5 t -80.44 124.91 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.82 110.983 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 2.7 111.012 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.87 169.24 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 1.56 111.114 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.528 ' CG2' HG11 ' B' ' 63' ' ' VAL . 22.0 t -123.74 136.73 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.38 111.131 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.44 124.81 24.78 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.288 -0.415 . . . . 1.79 111.252 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.1 112.85 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 3.18 110.783 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.684 ' O ' HG23 ' B' ' 76' ' ' THR . 21.3 t -85.79 143.08 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.68 111.238 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.684 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -176.94 -76.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 2.59 110.799 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 42.0 m 59.1 -174.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 4.7 110.975 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.31 108.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 4.79 111.058 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.284 -0.865 . . . . 6.52 111.085 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.882 0.372 . . . . 75.31 111.178 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.1 143.5 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.091 -0.504 . . . . 64.2 111.243 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -100.62 159.54 15.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.453 HD11 ' CE2' ' A' ' 48' ' ' PHE . 25.2 mt -137.34 134.44 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 120.973 0.416 . . . . 71.33 111.666 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.466 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.2 mt-30 -106.9 105.37 15.37 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.975 -0.557 . . . . 71.15 110.332 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.6 112.87 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.902 0.382 . . . . 64.13 111.553 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -93.23 124.18 37.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.056 -0.52 . . . . 72.24 110.568 179.501 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.746 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.32 161.75 35.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 73.52 111.182 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 40' ' ' ARG . 10.8 mt -49.85 145.19 5.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 53.54 111.011 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.593 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 15.0 p-10 -60.38 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.14 111.133 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -152.91 121.51 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.23 110.624 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.549 ' CG ' HD12 ' B' ' 29' ' ' ILE . 1.5 t60 -58.57 -30.77 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.692 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -53.5 -37.46 62.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 71.35 110.831 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.9 mt -65.69 -42.23 91.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 72.12 110.627 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.66 -52.43 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.553 . . . . 73.23 110.61 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -60.99 -35.43 76.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.624 . . . . 64.41 110.499 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -42.6 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 74.11 110.533 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 14' ' ' LEU . 26.3 t -67.72 -38.47 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 63.45 110.817 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.462 HG21 HD22 ' B' ' 15' ' ' LEU . 11.4 m -67.28 -37.33 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 72.25 110.487 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -62.56 -40.54 97.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 73.3 110.718 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.2 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 74.43 110.823 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 27' ' ' VAL . 85.6 mt -66.6 -56.18 11.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 75.54 110.799 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.09 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.028 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.29 -29.91 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.865 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -103.7 22.86 13.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.994 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp 62.68 38.66 11.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 53.02 110.969 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 22' ' ' LEU . 29.8 t -94.66 121.85 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 63.02 111.003 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.35 117.45 29.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.027 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.9 129.05 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.031 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -75.09 -41.49 58.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.051 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -173.37 171.65 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 72.51 111.04 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.92 158.14 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 42.04 111.199 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 t -163.71 124.69 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.39 . . . . 71.53 110.929 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.1 p -121.08 139.09 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.293 -0.412 . . . . 74.4 111.375 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.5 m -136.66 137.52 40.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.05 -0.523 . . . . 73.22 110.86 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 111.85 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 71.24 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.636 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.8 t -60.67 -66.91 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 63.51 110.882 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -89.05 1.46 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.761 -0.733 . . . . 40.34 112.382 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.47 -72.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.35 110.789 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -97.27 35.5 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.039 0.447 . . . . 74.31 110.517 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.4 121.82 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 74.23 111.235 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.593 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -120.17 116.8 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.183 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.636 HD11 ' OG ' ' A' ' 37' ' ' SER . 14.5 mt -89.85 111.82 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.133 -0.485 . . . . 70.43 110.964 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.04 132.03 43.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.14 111.095 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD2' HG11 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -116.47 117.26 29.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.178 -0.465 . . . . 43.44 110.428 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -109.02 159.36 16.9 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.954 0.407 . . . . 64.33 111.43 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.7 m -145.6 115.27 7.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.799 -0.637 . . . . 74.21 110.308 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.1 p90 -150.78 171.16 17.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.336 -0.393 . . . . 74.22 111.218 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -88.53 149.72 23.47 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.07 -0.514 . . . . 64.54 110.701 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.509 ' SD ' HD22 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -109.15 160.48 16.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.888 0.375 . . . . 73.44 111.26 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.86 -78.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.946 -0.645 . . . . 74.22 112.286 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 141.91 23.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.622 0.249 . . . . 72.15 110.754 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -74.33 -19.15 19.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 73.44 112.684 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -41.96 87.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 72.32 111.19 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 56' ' ' LEU . 8.3 p80 -77.44 -38.17 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.733 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.509 HD22 ' SD ' ' A' ' 50' ' ' MET . 6.2 tp -74.84 -32.98 62.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 75.0 110.084 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.75 -41.52 34.19 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.805 -0.712 . . . . 74.1 111.765 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -75.87 -32.71 59.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.821 0.343 . . . . 71.33 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.891 ' O ' HG23 ' A' ' 63' ' ' VAL . 14.1 mt -63.25 -48.01 80.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.53 110.933 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -57.21 -48.52 78.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 71.12 110.822 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -61.12 -40.93 95.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.634 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.18 95.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 71.12 110.873 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 59' ' ' LEU . 13.8 t -58.45 -29.86 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.898 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -62.18 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.05 110.842 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -85.69 6.58 27.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.288 -0.415 . . . . 74.2 111.568 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.6 t -81.55 104.15 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 120.858 0.361 . . . . 74.54 110.797 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.18 120.07 5.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 74.1 110.675 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.15 -21.77 24.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 72.24 112.652 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 8' ' ' ALA . 25.2 t -87.52 124.7 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.789 0.328 . . . . 72.24 111.215 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -54.88 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 63.24 111.256 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -166.74 169.2 13.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.083 -0.508 . . . . 73.2 111.072 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.667 HG21 HG11 ' A' ' 63' ' ' VAL . 21.8 t -131.42 135.89 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.157 -0.474 . . . . 73.25 111.339 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 135.17 40.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.332 -0.395 . . . . 63.23 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -67.02 114.26 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.24 110.901 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 76' ' ' THR . 5.9 t -85.99 161.67 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.47 ' N ' HG12 ' A' ' 75' ' ' VAL . 81.9 p -136.98 -47.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 75.33 110.946 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.47 118.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.882 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -144.76 132.33 20.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 51.12 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.226 -0.893 . . . . 63.12 111.123 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.619 HD11 ' CD1' ' B' ' 30' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.731 0.3 . . . . 74.32 111.268 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t -128.01 140.16 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.337 -0.392 . . . . 71.32 111.344 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -102.84 156.9 17.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.129 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' B' ' 48' ' ' PHE . 17.3 mt -134.11 132.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.399 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.412 ' HG3' HG21 ' B' ' 75' ' ' VAL . 1.1 mt-30 -107.62 106.5 16.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.085 -0.507 . . . . 65.12 110.547 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.55 112.91 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 120.906 0.384 . . . . 54.42 111.605 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -97.44 137.66 36.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.063 -0.517 . . . . 75.13 110.594 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.36 161.82 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.917 0.389 . . . . 75.53 111.334 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' B' ' 11' ' ' ARG . 3.9 pp -62.21 149.75 40.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 73.32 110.886 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.66 110.99 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.03 111.069 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.437 ' HB2' HD12 ' B' ' 9' ' ' LEU . 1.0 OUTLIER -153.43 132.56 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 62.53 110.81 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -55.74 -29.77 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.15 111.172 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -89.72 -19.8 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.19 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.599 HD21 ' HA3' ' B' ' 68' ' ' GLY . 0.0 OUTLIER -57.75 -42.54 84.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.385 . . . . 70.11 110.984 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.772 HD11 HG11 ' B' ' 34' ' ' VAL . 0.9 OUTLIER -59.27 -56.92 15.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 73.21 110.457 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.4 m -57.84 -30.46 65.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.738 -0.664 . . . . 63.11 110.368 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 73.14 110.47 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 14' ' ' LEU . 40.5 t -66.66 -40.4 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.53 HG22 ' HE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.27 -37.26 77.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 41.42 110.223 179.461 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.47 -40.49 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 75.32 110.652 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.78 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 70.35 110.762 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.524 HD23 HD11 ' B' ' 59' ' ' LEU . 83.1 mt -75.07 -33.15 61.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 75.11 110.643 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.33 -23.32 60.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.998 -0.547 . . . . 75.2 111.277 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -49.63 -28.15 5.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.428 -0.351 . . . . 74.53 111.195 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 21.93 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 73.12 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 51.29 32.11 7.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 75.5 111.156 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.403 ' O ' HG13 ' B' ' 29' ' ' ILE . 30.6 t -58.68 100.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 53.34 110.855 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.44 107.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.34 110.845 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.549 HD12 ' CG ' ' A' ' 12' ' ' HIS . 8.5 mt -96.36 128.08 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 75.34 110.633 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.619 ' CD1' HD11 ' B' ' 1' ' ' LEU . 23.3 mt -74.66 -30.82 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.413 . . . . 74.53 110.411 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -136.03 131.27 34.73 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.098 -0.501 . . . . 64.02 110.933 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.31 122.16 19.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.482 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.9 t -157.02 133.06 9.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.931 0.396 . . . . 63.14 111.537 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.772 HG11 HD11 ' B' ' 15' ' ' LEU . 8.1 p -131.19 130.0 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.017 -0.538 . . . . 72.43 111.214 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -136.66 154.07 50.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.104 -0.498 . . . . 74.23 110.842 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.9 p -92.77 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.931 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -97.47 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.804 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.21 -120.71 1.41 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.857 -0.687 . . . . 71.54 112.444 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.69 -70.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 74.2 110.778 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -97.53 36.61 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 65.54 110.519 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -137.33 113.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.926 -0.579 . . . . 72.23 111.403 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.52 145.28 40.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 44.34 110.949 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mt -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 116.255 -0.43 . . . . 62.24 111.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 12.5 m -116.5 149.22 39.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.749 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -134.82 117.32 15.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.513 ' CD1' HD13 ' B' ' 29' ' ' ILE . 60.5 m-85 -124.23 125.31 44.19 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.973 0.416 . . . . 74.55 111.502 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.0 m -112.98 127.62 56.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.905 -0.589 . . . . 74.41 109.9 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' B' ' 4' ' ' ILE . 1.9 p90 -144.81 151.12 38.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 75.24 111.499 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -103.24 117.35 34.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.873 -0.603 . . . . 73.22 110.858 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mtt -149.94 154.45 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 70.1 111.103 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.73 -28.11 4.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 74.52 112.445 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.658 ' O ' HD12 ' B' ' 56' ' ' LEU . 1.0 OUTLIER -73.92 110.92 10.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.563 0.221 . . . . 63.05 110.845 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.23 -27.04 35.32 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.082 . . . . 52.15 112.393 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -33.29 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -77.47 -44.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.648 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.658 HD12 ' O ' ' B' ' 52' ' ' ASP . 4.5 mp -69.93 -32.07 70.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 53.33 110.145 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.15 -42.46 28.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.714 -0.755 . . . . 72.44 111.891 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -72.48 -29.91 64.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 73.3 110.853 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 63' ' ' VAL . 18.9 tp -62.21 -46.57 88.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.309 -0.405 . . . . 60.14 110.925 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.77 -50.25 74.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 72.13 110.768 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.86 -37.63 82.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 52.41 110.634 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.18 98.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 62.43 110.667 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 59' ' ' LEU . 19.4 t -56.13 -30.77 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 53.41 111.005 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -60.21 -31.86 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.72 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.67 -6.52 52.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.444 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' B' ' 63' ' ' VAL . 21.6 t -77.39 104.18 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.889 0.376 . . . . 74.32 110.724 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.79 120.2 5.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 70.54 110.936 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.599 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.16 -24.08 19.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 74.01 112.752 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 63' ' ' VAL . 99.4 t -78.12 115.13 19.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.886 0.374 . . . . 75.03 110.956 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -52.34 26.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.041 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 71.54 111.156 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.454 HG21 HG11 ' B' ' 63' ' ' VAL . 21.3 t -131.02 139.82 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.962 -0.563 . . . . 72.14 111.079 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -135.44 123.52 22.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.385 -0.37 . . . . 71.41 111.211 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -64.84 113.73 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.666 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.716 ' O ' HG23 ' B' ' 76' ' ' THR . 23.6 t -85.94 148.07 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.32 111.238 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.716 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.6 OUTLIER -171.86 171.82 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 70.41 110.819 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -172.34 131.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 64.34 110.891 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.7 101.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.073 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.179 -0.915 . . . . 72.31 111.133 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 75.31 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.25 145.48 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 64.2 111.239 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.616 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.77 165.09 11.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.928 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.626 HD11 ' CE2' ' A' ' 48' ' ' PHE . 34.2 mt -140.78 139.84 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.277 -0.42 . . . . 71.33 111.333 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -109.39 104.68 13.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.776 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 72' ' ' VAL . 22.0 t -103.27 112.73 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.205 -0.452 . . . . 64.13 111.265 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.4 mt-10 -92.71 129.96 38.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.49 . . . . 72.24 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.658 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.48 164.46 34.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 73.52 111.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 14' ' ' LEU . 45.6 mt -52.12 144.5 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 53.54 111.055 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.549 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 1.5 t70 -64.09 80.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.144 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -153.51 124.93 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.738 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.907 ' ND1' HD12 ' B' ' 29' ' ' ILE . 70.0 t60 -58.58 -27.62 64.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 72.33 110.827 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -40.58 72.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.983 0.42 . . . . 71.35 110.719 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.886 ' O ' HG23 ' A' ' 18' ' ' VAL . 50.3 mt -63.59 -41.32 98.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 72.12 110.643 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 12' ' ' HIS . 3.7 mm? -61.6 -49.45 76.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.561 . . . . 73.23 110.62 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -60.78 -40.96 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 64.41 110.532 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.4 -41.64 98.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 74.11 110.667 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 14' ' ' LEU . 32.6 t -67.84 -37.13 77.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 63.45 110.853 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -67.21 -38.5 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 72.25 110.546 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.53 -39.22 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 73.3 110.719 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.82 84.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.913 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.853 HD23 HD11 ' A' ' 59' ' ' LEU . 65.3 mt -65.82 -54.69 23.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 75.54 110.844 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.23 73.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.12 111.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.51 -30.72 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.867 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.03 22.56 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.53 111.15 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt 59.81 45.29 12.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 53.02 110.996 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.6 t -104.05 85.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.069 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -64.18 120.6 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -96.35 128.05 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.061 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -75.04 -31.01 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.956 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.32 168.07 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.01 151.51 5.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 42.04 111.32 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 10.9 t -163.65 132.04 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.91 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.0 p -123.34 141.62 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.556 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 t -136.52 154.06 50.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.032 -0.531 . . . . 73.22 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -63.51 113.3 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.24 111.045 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.587 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.2 t -66.93 -38.52 86.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 63.51 111.045 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 173.93 -104.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.68 -0.771 . . . . 40.34 112.647 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.48 ' O ' HG22 ' A' ' 41' ' ' VAL . 10.2 p-10 -98.69 110.07 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 74.35 111.099 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 53.5 36.1 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.05 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.566 HG23 ' N ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -137.47 142.15 37.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 74.23 110.972 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -135.07 121.78 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.01 111.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.587 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.9 mt -89.82 107.83 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 70.43 110.808 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 133.49 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 73.14 111.22 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -112.24 133.31 54.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.071 -0.513 . . . . 43.44 110.592 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -123.64 125.58 45.06 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.332 -0.395 . . . . 64.33 111.247 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -114.42 120.45 40.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.958 -0.565 . . . . 74.21 110.511 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.4 p90 -150.7 171.14 17.63 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.098 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.53 165.78 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 64.54 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.4 ' CE ' ' CD2' ' A' ' 56' ' ' LEU . 2.0 mtp -109.07 162.32 14.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.211 -0.449 . . . . 73.44 111.097 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.37 -63.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.844 -0.693 . . . . 74.22 112.414 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -106.32 101.05 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.605 0.241 . . . . 72.15 110.98 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 59.7 Cg_exo -51.63 -33.83 50.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.096 . . . . 73.44 112.364 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -67.68 -30.34 69.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 72.32 111.05 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -77.24 -44.32 30.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.624 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 57' ' ' GLY . 4.6 pp -72.32 -29.26 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 75.0 110.044 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.591 ' N ' HD12 ' A' ' 56' ' ' LEU . . . -73.63 -46.6 24.08 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.832 -0.699 . . . . 74.1 111.835 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -71.93 -32.78 67.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.815 0.341 . . . . 71.33 110.634 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 63' ' ' VAL . 29.5 tp -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.53 110.755 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -60.01 -48.28 82.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 71.12 110.795 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -60.95 -40.96 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.632 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.25 99.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 71.12 110.892 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 59' ' ' LEU . 37.5 t -58.23 -29.46 37.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 74.43 110.904 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -27.87 69.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 71.05 110.73 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.39 -1.51 41.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.528 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 63' ' ' VAL . 27.6 t -73.97 104.17 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 120.914 0.387 . . . . 74.54 110.636 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.86 119.93 4.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.087 -0.506 . . . . 74.1 110.735 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -22.65 22.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.24 112.559 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.6 t -87.18 126.88 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.825 0.345 . . . . 72.24 111.143 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.7 -54.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.246 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -166.75 168.97 13.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 73.2 111.097 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.615 HG21 ' CG1' ' A' ' 63' ' ' VAL . 35.7 t -131.19 129.23 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.121 -0.49 . . . . 73.25 111.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -135.55 131.0 35.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.417 -0.356 . . . . 63.23 111.334 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -62.95 126.16 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 75.24 110.729 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.616 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 27.7 t -85.83 131.34 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 75.21 111.205 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 75' ' ' VAL . 2.2 p -163.13 -178.04 5.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 75.33 110.832 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.0 28.69 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.988 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 56.87 75.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 51.12 111.221 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.894 . . . . 63.12 111.124 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.445 HD21 ' CG2' ' B' ' 47' ' ' THR . 2.9 tt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.777 0.322 . . . . 74.32 111.207 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -128.02 139.68 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.191 -0.459 . . . . 71.32 111.286 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -104.15 153.95 20.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.126 -0.488 . . . . 72.13 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.736 HD11 ' CD2' ' B' ' 56' ' ' LEU . 48.7 mt -139.69 133.41 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.162 -0.472 . . . . 75.25 111.007 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.45 ' HB2' HG23 ' B' ' 75' ' ' VAL . 2.8 mt-30 -107.87 127.46 53.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.156 -0.475 . . . . 65.12 110.9 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -111.55 112.9 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.214 -0.448 . . . . 54.42 111.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.62 139.91 31.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.45 160.62 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 75.53 111.235 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.1 153.76 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.871 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -62.47 113.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.03 111.072 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.658 ' HB2' HD12 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -150.32 176.82 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.53 110.942 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 34.9 p80 -111.16 -32.73 6.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 73.15 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -27.16 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 73.14 111.028 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' B' ' 11' ' ' ARG . 20.5 mt -54.01 -39.08 65.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 70.11 111.027 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.5 -53.68 55.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.337 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.32 -34.42 72.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 63.11 110.259 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.55 -45.06 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 73.14 110.488 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 14' ' ' LEU . 38.7 t -65.65 -42.5 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 75.1 110.596 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.666 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.0 -38.21 90.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 41.42 110.393 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -42.83 85.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 75.32 110.78 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.25 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 70.35 110.836 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.565 HD13 HD11 ' B' ' 29' ' ' ILE . 6.6 mt -72.97 -30.79 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.715 -0.675 . . . . 75.11 110.538 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.92 62.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.985 -0.552 . . . . 75.2 111.184 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -33.98 55.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.342 -0.39 . . . . 74.53 110.826 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.48 18.47 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 73.12 110.992 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.91 28.62 2.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 75.5 111.17 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.13 93.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 53.34 110.591 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.81 100.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.34 110.682 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.907 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.1 mt -84.48 130.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 75.34 110.426 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' B' ' 47' ' ' THR . 16.8 mt -74.53 -30.47 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.858 0.361 . . . . 74.53 110.27 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m -134.4 131.36 38.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.028 -0.533 . . . . 64.02 110.919 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.76 121.47 20.78 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.005 -0.543 . . . . 74.31 110.31 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 45' ' ' ARG . 37.0 p -158.66 130.17 6.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.767 -0.373 . . . . 63.14 111.706 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.559 ' O ' HG13 ' B' ' 34' ' ' VAL . 7.7 p -131.08 108.52 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.141 -0.481 . . . . 72.43 111.143 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.96 154.13 26.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.082 -0.508 . . . . 74.23 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.33 124.5 36.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.444 ' OG ' HG13 ' B' ' 41' ' ' VAL . 4.0 p -102.04 167.79 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.838 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 46.08 -95.14 0.01 OUTLIER Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.943 -0.646 . . . . 71.54 112.747 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.98 -67.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 74.2 110.897 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -98.45 35.98 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 65.54 110.833 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.444 HG13 ' OG ' ' B' ' 37' ' ' SER . 12.6 p -137.34 136.79 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.015 -0.538 . . . . 72.23 111.304 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.442 ' O ' HD13 ' B' ' 43' ' ' ILE . . . -115.57 149.62 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 44.34 111.026 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.442 HD13 ' O ' ' B' ' 42' ' ' ALA . 19.0 mm -130.12 123.32 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.253 -0.431 . . . . 62.24 111.491 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.07 147.61 29.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 61.43 110.456 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' B' ' 33' ' ' SER . 10.6 ttm-85 -134.97 117.26 15.6 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.344 -0.389 . . . . 75.41 110.355 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' B' ' 29' ' ' ILE . 78.6 m-85 -126.11 125.22 42.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.079 0.466 . . . . 74.55 111.434 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' LEU . 25.5 m -113.28 119.38 37.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.754 -0.657 . . . . 74.41 109.752 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -137.78 146.84 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 75.24 111.504 -179.325 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.423 ' HB2' HD11 ' B' ' 30' ' ' LEU . 2.3 tt0 -88.78 114.52 25.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.95 -0.568 . . . . 73.22 110.843 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 92.3 mtp -149.85 159.64 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 70.1 111.029 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.01 -44.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 74.52 112.449 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.88 109.44 1.99 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.612 0.244 . . . . 63.05 110.872 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.53 -17.39 48.14 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.526 2.15 . . . . 52.15 112.578 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.83 -43.9 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 73.14 111.178 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -77.49 -44.39 28.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.742 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.736 ' CD2' HD11 ' B' ' 4' ' ' ILE . 0.4 OUTLIER -69.25 -32.8 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.416 . . . . 53.33 110.085 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.43 -41.78 29.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.711 -0.757 . . . . 72.44 111.8 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -29.68 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 73.3 110.817 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.866 ' O ' HG23 ' B' ' 63' ' ' VAL . 12.8 tp -61.66 -44.91 96.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.962 0.411 . . . . 60.14 110.928 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 56' ' ' LEU . 0.4 OUTLIER -59.82 -51.63 68.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.863 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.0 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 52.41 110.704 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.21 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.674 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.9 t -56.5 -33.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.951 -0.568 . . . . 53.41 111.132 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -60.41 -29.17 68.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.764 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -74.88 -12.18 60.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.415 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.0 t -74.28 104.05 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.902 0.382 . . . . 74.32 110.764 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -50.42 120.48 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 70.54 110.895 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.13 19.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 74.01 112.703 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.709 HG11 HG12 ' B' ' 63' ' ' VAL . 58.7 t -75.51 117.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.859 0.361 . . . . 75.03 110.825 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -54.2 14.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 75.41 111.022 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -166.83 169.04 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 71.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.48 HG21 ' HB ' ' B' ' 63' ' ' VAL . 22.0 t -128.06 138.94 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.135 -0.484 . . . . 72.14 111.006 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.42 132.59 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 71.41 111.298 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -70.32 109.23 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.718 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.717 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 86.9 t -90.74 159.27 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 70.32 111.22 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.495 ' N ' HG12 ' B' ' 75' ' ' VAL . 27.1 m 64.61 147.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 70.41 111.034 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 37.4 t -146.89 -48.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 64.34 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.8 75.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 72.03 111.084 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.241 -0.885 . . . . 72.31 111.123 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.815 0.34 . . . . 75.31 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.35 149.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 116.206 -0.452 . . . . 64.2 111.141 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.679 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -108.21 164.35 12.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.787 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 3' ' ' ALA . 20.8 mm -139.99 131.79 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 120.993 0.425 . . . . 71.33 111.56 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.07 114.3 28.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.86 -0.609 . . . . 71.15 110.046 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -113.53 112.64 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.846 0.355 . . . . 64.13 111.703 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.59 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.1 mt-10 -89.27 130.47 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.432 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.41 168.75 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 73.52 111.501 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.31 145.57 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 53.54 111.066 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.5 80.61 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 71.14 111.253 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -153.43 141.42 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.719 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.857 ' ND1' HD12 ' B' ' 29' ' ' ILE . 55.2 t60 -68.31 -26.02 65.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 72.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -55.72 -34.3 65.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 71.35 110.769 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.5 mm? -64.83 -47.19 78.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 72.12 110.629 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 4.0 mm? -59.34 -50.71 72.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 73.23 110.673 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 p -60.71 -37.45 81.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.851 -0.613 . . . . 64.41 110.572 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.79 -43.89 82.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.508 . . . . 74.11 110.698 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.4 t -68.42 -37.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 63.45 110.709 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.551 HG21 HD22 ' B' ' 15' ' ' LEU . 16.7 m -68.8 -36.62 78.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 72.25 110.415 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -62.82 -37.56 87.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 73.3 110.636 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.58 85.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.016 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 HG12 ' A' ' 29' ' ' ILE . 72.8 mt -65.15 -51.15 62.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 75.54 110.821 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.76 76.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.961 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.99 -30.67 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.871 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.14 18.43 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.53 111.178 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 57.17 38.47 28.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.348 . . . . 53.02 111.113 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 t -91.18 128.65 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.016 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -89.06 118.82 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.02 110.982 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 22' ' ' LEU . 3.3 mt -96.31 137.2 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 73.12 111.103 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 30' ' ' LEU . 8.1 mt -89.74 -37.1 14.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.918 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.749 ' CB ' HG22 ' B' ' 35' ' ' THR . 4.4 m -163.91 163.55 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.51 111.159 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -161.87 139.96 9.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.239 -0.437 . . . . 42.04 111.245 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.414 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 1.1 m -163.79 143.24 8.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.13 -0.486 . . . . 71.53 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG11 HD21 ' A' ' 15' ' ' LEU . 14.9 p -130.94 139.51 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.934 0.397 . . . . 74.4 111.344 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.3 p -136.69 154.04 50.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.965 -0.561 . . . . 73.22 110.857 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.3 p -59.83 121.42 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.896 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 t -77.68 -34.2 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.51 110.836 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.82 -85.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.914 -0.66 . . . . 40.34 112.255 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.29 -77.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 74.35 110.547 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.56 33.4 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.1 0.476 . . . . 74.31 110.256 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.46 147.25 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.607 -0.724 . . . . 74.23 111.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.9 124.61 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.01 111.053 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 43' ' ' ILE . 3.3 tt -91.16 123.41 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.284 -0.416 . . . . 70.43 111.074 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.577 ' OG ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.09 147.53 24.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.829 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -143.84 122.75 12.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 43.44 110.48 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 14.4 p90 -141.77 140.16 32.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.082 0.467 . . . . 64.33 111.485 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.6 m -105.58 134.54 48.53 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.793 -0.64 . . . . 74.21 110.446 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 129.92 12.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.329 -0.396 . . . . 74.22 111.13 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.79 132.7 34.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 64.54 110.951 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.9 mmt -149.91 165.17 33.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 73.44 110.99 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.56 -38.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.495 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.53 111.58 10.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.584 0.23 . . . . 72.15 110.842 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.19 -27.8 34.73 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.41 2.073 . . . . 73.44 112.366 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -38.52 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.937 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.558 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -77.65 -39.21 45.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 71.35 110.697 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -34.91 68.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.214 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.8 -38.79 30.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.662 -0.78 . . . . 74.1 111.848 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -77.18 -27.76 53.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 71.33 110.882 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -59.83 -44.13 94.2 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.01 0.434 . . . . 71.53 110.879 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD11 ' HE ' ' A' ' 74' ' ' ARG . 44.1 mt -59.6 -50.98 71.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.934 -0.575 . . . . 71.12 110.84 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -60.92 -35.63 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 75.44 110.698 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.09 92.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.73 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 59' ' ' LEU . 18.1 t -56.4 -32.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.91 -0.586 . . . . 74.43 111.114 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -30.05 69.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 71.05 110.778 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.61 -5.49 50.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.225 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.9 t -73.98 104.06 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.881 0.372 . . . . 74.54 110.781 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -50.43 120.3 4.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.805 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -22.07 23.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 72.24 112.473 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.4 t -87.81 129.97 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.91 0.386 . . . . 72.24 111.091 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -56.49 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 63.24 111.312 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -166.72 169.19 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 73.2 111.21 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.703 HG21 ' HB ' ' A' ' 63' ' ' VAL . 21.6 t -123.26 139.63 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 73.25 111.469 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.34 122.69 21.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.328 -0.396 . . . . 63.23 111.189 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HE ' HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -64.62 110.45 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 75.24 111.035 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 76' ' ' THR . 1.7 t -92.76 169.79 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.968 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.54 ' H ' HG12 ' A' ' 75' ' ' VAL . 9.0 t -93.5 172.16 8.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 75.33 110.837 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -136.7 -66.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 74.21 110.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.05 145.31 53.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.043 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.184 -0.912 . . . . 63.12 111.112 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.666 HD12 ' CG2' ' B' ' 47' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.811 0.338 . . . . 74.32 111.166 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.629 HG11 ' HD3' ' B' ' 74' ' ' ARG . 23.6 t -128.08 149.03 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.122 -0.49 . . . . 71.32 111.202 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.632 ' HB3' ' C ' ' B' ' 75' ' ' VAL . . . -106.43 156.22 18.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.069 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' B' ' 48' ' ' PHE . 3.1 mp -140.93 131.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.306 -0.407 . . . . 75.25 111.46 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HG3' HG21 ' B' ' 75' ' ' VAL . 0.8 OUTLIER -105.06 114.86 29.31 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.2 -0.454 . . . . 65.12 110.708 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.78 112.91 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.366 -0.379 . . . . 54.42 111.346 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.595 ' O ' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -96.5 130.41 43.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.781 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.806 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -156.71 151.73 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 75.53 111.182 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.619 ' O ' HD12 ' B' ' 14' ' ' LEU . 47.4 mt -57.13 143.4 38.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.988 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.51 93.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -127.33 179.31 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 24.2 m80 -101.01 -30.07 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.41 18.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.806 HD13 ' HB1' ' B' ' 8' ' ' ALA . 9.8 mt -57.12 -43.81 82.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.35 -0.386 . . . . 70.11 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.577 ' CG ' HG11 ' B' ' 34' ' ' VAL . 1.1 tt -60.75 -54.13 48.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 73.21 110.666 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -60.06 -32.02 70.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 63.11 110.637 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.3 -43.78 80.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 73.14 110.682 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 14' ' ' LEU . 33.6 t -65.38 -45.1 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.74 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.428 ' CG2' ' CE1' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -69.67 -39.17 77.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.801 -0.636 . . . . 41.42 110.099 179.412 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.703 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.45 77.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 70.35 110.653 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.33 -33.33 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.751 -0.658 . . . . 75.11 110.596 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.4 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 75.2 111.125 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.03 -38.6 68.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 74.53 110.871 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.62 18.73 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.12 110.95 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt 54.33 24.65 5.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.331 -0.395 . . . . 75.5 111.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.91 91.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 53.34 110.586 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -63.96 100.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 74.34 111.06 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.857 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -89.46 131.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 75.34 110.172 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.6 mt -74.39 -25.02 59.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 74.53 110.699 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.1 t -137.79 136.09 36.9 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.103 -0.499 . . . . 64.02 110.616 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.602 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -141.51 121.5 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 74.31 110.285 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 86.6 p -160.13 129.8 5.23 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.039 0.447 . . . . 63.14 111.794 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.577 HG11 ' CG ' ' B' ' 15' ' ' LEU . 9.3 p -131.19 119.8 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.941 -0.572 . . . . 72.43 111.065 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.749 HG22 ' CB ' ' A' ' 31' ' ' SER . 16.4 p -136.5 153.99 50.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.033 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 19.1 p -77.62 140.77 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.931 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 t -132.57 97.53 4.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.905 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.07 -116.23 5.2 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.773 -0.727 . . . . 71.54 112.523 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -137.77 113.15 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 74.2 110.927 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 63.04 40.96 8.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 65.54 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 t -137.19 112.71 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.094 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.21 115.8 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 44.34 111.143 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.512 HD13 ' HG3' ' B' ' 7' ' ' GLU . 20.7 mm -99.38 113.16 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.116 -0.493 . . . . 62.24 111.241 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.41 150.08 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.778 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -137.62 129.49 28.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.302 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.57 ' HB3' HG21 ' B' ' 29' ' ' ILE . 88.6 m-85 -139.77 125.45 19.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.002 0.43 . . . . 74.55 111.588 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.666 ' CG2' HD12 ' B' ' 1' ' ' LEU . 92.8 m -117.59 115.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.893 -0.594 . . . . 74.41 110.013 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' B' ' 4' ' ' ILE . 2.7 p90 -130.97 168.42 17.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.959 0.409 . . . . 75.24 111.754 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.4 112.04 17.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.825 -0.625 . . . . 73.22 110.958 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 10.4 ttp -149.93 149.04 29.83 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.389 . . . . 70.1 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.48 -39.06 3.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 74.52 112.483 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.43 110.4 2.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.565 0.222 . . . . 63.05 110.836 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' B' ' 56' ' ' LEU . 67.6 Cg_endo -73.82 -28.67 11.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.502 2.135 . . . . 52.15 112.472 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.36 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.19 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 9.0 m80 -77.15 -44.38 30.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.525 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' N ' ' B' ' 57' ' ' GLY . 4.2 pp -74.7 -33.39 62.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 53.33 109.884 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' GLY . . . . . 0.462 ' N ' HD12 ' B' ' 56' ' ' LEU . . . -74.3 -34.39 54.85 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.623 -0.799 . . . . 72.44 111.474 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.11 -44.51 53.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.838 0.351 . . . . 73.3 110.963 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.893 ' O ' HG23 ' B' ' 63' ' ' VAL . 3.8 pp -66.48 -38.97 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 60.14 110.601 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.767 ' N ' HD12 ' B' ' 59' ' ' LEU . 2.4 mt -59.53 -52.08 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 72.13 110.407 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -62.39 -37.4 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 52.41 110.242 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.7 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 62.43 110.659 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.893 HG23 ' O ' ' B' ' 59' ' ' LEU . 38.4 t -55.91 -35.2 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 53.41 111.15 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -58.84 -28.61 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -77.92 -5.03 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 73.03 111.488 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 63' ' ' VAL . 30.2 t -72.94 104.16 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.857 0.361 . . . . 74.32 110.603 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.519 ' O ' HD21 ' B' ' 14' ' ' LEU . 7.1 pt-20 -49.78 120.11 4.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 70.54 110.867 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.416 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.2 -24.25 18.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.845 -0.693 . . . . 74.01 112.706 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.595 HG13 ' O ' ' B' ' 7' ' ' GLU . 55.4 t -80.61 122.67 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.851 0.358 . . . . 75.03 110.862 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -60.63 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.907 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.79 169.13 13.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.833 -0.621 . . . . 71.54 110.972 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -126.59 140.77 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.193 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -135.27 126.74 28.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.41 111.171 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.629 ' HD3' HG11 ' B' ' 2' ' ' VAL . 2.1 mtt180 -69.81 109.24 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.894 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.632 ' C ' ' HB3' ' B' ' 3' ' ' ALA . 1.7 t -97.08 171.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 70.32 110.807 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.552 ' H ' HG12 ' B' ' 75' ' ' VAL . 37.5 p -116.02 157.81 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 70.41 110.927 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.4 m -57.89 176.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 64.34 110.978 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.62 138.09 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 72.03 111.042 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.246 -0.883 . . . . 72.31 111.044 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.917 0.389 . . . . 75.31 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.568 HG11 ' HD2' ' A' ' 74' ' ' ARG . 21.8 t -82.25 149.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 64.2 111.174 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -110.69 165.35 11.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.968 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 48' ' ' PHE . 29.0 mt -142.68 131.97 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.892 0.377 . . . . 71.33 111.391 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.679 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.3 mt-30 -105.38 106.38 16.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.149 -0.478 . . . . 71.15 110.621 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 72' ' ' VAL . 24.7 t -102.62 112.72 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.355 -0.384 . . . . 64.13 111.391 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.529 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -88.59 125.2 34.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 72.24 110.449 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.858 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.4 159.56 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 73.52 111.316 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 14' ' ' LEU . 64.7 mt -50.34 146.45 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 53.54 110.968 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.698 ' OD2' HG22 ' A' ' 36' ' ' THR . 12.4 m-20 -66.24 76.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 111.162 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -142.23 122.44 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.727 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.817 ' ND1' HD12 ' B' ' 29' ' ' ILE . 29.1 t60 -58.55 -28.1 65.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 72.33 110.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.29 67.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 71.35 110.697 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 18' ' ' VAL . 90.4 mt -66.91 -45.65 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 72.12 110.685 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.7 mm? -61.68 -47.29 85.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.986 -0.552 . . . . 73.23 110.576 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -62.17 -40.24 95.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.866 -0.606 . . . . 64.41 110.503 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 74.11 110.557 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.2 t -67.73 -37.27 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 63.45 110.816 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.438 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.8 m -67.05 -38.88 86.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 72.25 110.441 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -61.32 -40.63 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 73.3 110.634 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.38 85.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 74.43 110.944 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.69 HD13 HD11 ' A' ' 29' ' ' ILE . 50.8 mt -65.5 -51.84 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.832 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.989 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.78 -30.55 71.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 72.31 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -98.79 15.29 25.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.183 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt 58.22 48.49 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 53.02 110.953 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 25' ' ' GLU . 21.5 t -104.31 110.31 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.082 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.63 115.39 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 63.02 110.874 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 22' ' ' LEU . 4.8 mt -96.16 129.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.12 111.064 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.15 -33.39 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 72.1 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -173.25 171.55 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 72.51 110.939 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.77 147.98 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 42.04 111.184 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -163.65 131.46 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 43' ' ' ILE . 13.7 p -130.73 138.39 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.4 111.305 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 p -136.65 153.98 50.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.916 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.698 HG22 ' OD2' ' A' ' 10' ' ' ASP . 40.3 p -78.6 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.961 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -81.14 -28.94 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.973 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -162.61 -134.57 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.664 -0.779 . . . . 40.34 112.66 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.19 117.36 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 74.35 110.972 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 54.3 34.88 21.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.31 111.002 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.604 HG23 ' H ' ' A' ' 38' ' ' GLY . 16.1 m -137.43 107.64 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.806 -0.634 . . . . 74.23 110.993 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.613 ' HB2' ' OD2' ' A' ' 10' ' ' ASP . . . -110.92 121.46 45.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.01 111.346 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.529 ' C ' HG23 ' A' ' 34' ' ' VAL . 16.6 mm -89.83 110.9 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.05 -0.523 . . . . 70.43 110.902 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -98.04 138.43 35.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.125 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 117.19 26.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.972 -0.558 . . . . 43.44 110.49 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.18 125.47 52.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.367 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -110.79 118.07 35.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.976 -0.556 . . . . 74.21 110.589 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -150.74 169.42 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 74.22 111.118 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.71 160.36 17.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 64.54 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.13 160.64 15.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.231 -0.441 . . . . 73.44 110.969 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.92 -54.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.656 -0.783 . . . . 74.22 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.42 100.34 29.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.572 0.225 . . . . 72.15 110.983 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.78 -32.28 55.19 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.43 2.086 . . . . 73.44 112.369 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -64.49 -34.66 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 72.32 110.969 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' O ' HD12 ' A' ' 59' ' ' LEU . 31.0 m80 -77.51 -42.83 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.668 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.767 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.7 tt -72.62 -32.7 66.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.165 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.08 -43.7 32.28 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.709 -0.758 . . . . 74.1 111.876 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 71.33 110.7 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.868 ' O ' HG23 ' A' ' 63' ' ' VAL . 7.5 mt -63.52 -46.95 83.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 71.53 110.828 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 56' ' ' LEU . 3.6 mm? -58.03 -49.87 75.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 71.12 110.795 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -39.11 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.638 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.71 95.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 71.12 110.708 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.7 t -57.35 -30.57 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.986 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -60.84 -28.76 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 71.05 110.839 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -83.18 2.8 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.517 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -80.97 104.2 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 120.875 0.369 . . . . 74.54 110.793 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.93 120.46 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.499 . . . . 74.1 110.631 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.31 -21.93 23.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 72.24 112.655 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.5 t -86.59 123.1 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.24 111.168 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.55 -56.04 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.286 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -165.93 169.17 15.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.989 -0.551 . . . . 73.2 111.092 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG21 HG11 ' A' ' 63' ' ' VAL . 22.8 t -129.72 138.43 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.139 -0.482 . . . . 73.25 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -135.53 126.54 27.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.26 -0.427 . . . . 63.23 111.142 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.568 ' HD2' HG11 ' A' ' 2' ' ' VAL . 22.3 ttp180 -64.33 110.56 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 75.24 110.785 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.679 HG21 ' HG3' ' A' ' 5' ' ' GLN . 34.7 t -85.97 158.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 75.21 111.239 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.492 ' N ' HG12 ' A' ' 75' ' ' VAL . 1.1 p -151.28 115.04 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 75.33 110.801 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 p -97.23 168.19 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.978 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.51 115.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 51.12 111.143 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 63.12 111.108 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.793 0.33 . . . . 74.32 111.243 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.647 HG11 ' HD2' ' B' ' 74' ' ' ARG . 29.1 t -82.15 138.28 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 71.32 111.169 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.768 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -100.73 153.01 19.8 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.95 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.768 HD13 ' O ' ' B' ' 3' ' ' ALA . 16.3 mm -133.31 131.93 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.296 -0.411 . . . . 75.25 111.411 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -106.06 104.88 14.69 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.61 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.55 113.05 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.29 -0.413 . . . . 54.42 111.552 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.613 ' O ' HG13 ' B' ' 69' ' ' VAL . 18.4 tt0 -95.52 139.23 32.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.093 -0.503 . . . . 75.13 110.8 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -159.32 163.1 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 75.53 111.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.704 ' O ' HD12 ' B' ' 14' ' ' LEU . 3.1 mt -59.4 144.27 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.909 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.7 88.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -138.78 143.3 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 62.53 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.59 ' HA ' HD12 ' B' ' 15' ' ' LEU . 20.3 p-80 -68.21 -29.89 68.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 73.15 111.014 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.4 ' HG2' ' CD2' ' B' ' 12' ' ' HIS . 3.0 mmt180 -80.16 -37.65 32.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 73.14 111.003 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.704 HD12 ' O ' ' B' ' 9' ' ' LEU . 23.0 mt -57.3 -39.67 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.846 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.655 ' CD2' HG21 ' B' ' 34' ' ' VAL . 5.3 mt -59.89 -56.36 22.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 73.21 110.339 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.56 -30.04 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 63.11 110.182 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.7 -48.08 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.394 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 14' ' ' LEU . 29.4 t -64.95 -41.35 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.569 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.646 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.33 -39.79 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 41.42 110.259 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -68.97 -37.88 79.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.634 . . . . 75.32 110.738 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.81 77.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -84.68 -30.13 25.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 75.11 110.834 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -36.59 76.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 75.2 111.442 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -57.32 -25.16 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.073 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.82 9.85 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 73.12 111.142 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 55.14 23.73 5.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.768 0.318 . . . . 75.5 111.116 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.18 93.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 53.34 110.696 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -64.07 100.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.817 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.9 mt -89.35 128.25 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.418 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' B' ' 49' ' ' GLU . 2.8 mt -74.46 -28.82 61.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 74.53 110.304 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -132.98 131.4 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.026 -0.534 . . . . 64.02 110.729 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.41 121.56 17.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.305 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.46 133.71 7.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.974 0.416 . . . . 63.14 111.889 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.655 HG21 ' CD2' ' B' ' 15' ' ' LEU . 9.2 p -131.21 123.44 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 72.43 110.969 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -136.59 153.99 50.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.061 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -72.6 134.58 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 73.42 110.951 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.57 -47.18 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 74.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.745 ' H ' HG23 ' B' ' 41' ' ' VAL . . . -155.33 -103.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.672 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.05 115.55 29.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 74.2 111.108 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 53.87 36.7 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 65.54 111.205 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.745 HG23 ' H ' ' B' ' 38' ' ' GLY . 0.2 OUTLIER -137.4 107.57 5.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 72.23 111.091 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.11 127.25 47.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 44.34 111.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.408 HD13 ' HG3' ' B' ' 7' ' ' GLU . 20.8 mm -103.88 122.33 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 62.24 111.425 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.57 148.49 25.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 61.43 110.567 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -134.95 121.75 20.93 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.431 -0.35 . . . . 75.41 110.604 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.62 ' CD2' HD13 ' B' ' 29' ' ' ILE . 74.1 m-85 -129.37 125.26 36.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.021 0.438 . . . . 74.55 111.344 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.472 ' O ' ' N ' ' B' ' 30' ' ' LEU . 68.4 m -115.23 119.83 37.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.855 -0.611 . . . . 74.41 110.047 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -136.11 151.34 49.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.88 0.372 . . . . 75.24 111.572 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' B' ' 30' ' ' LEU . 1.7 tm-20 -102.64 111.96 24.5 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.907 -0.588 . . . . 73.22 110.871 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 20.8 mtt -149.91 165.85 31.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 70.1 111.041 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.68 -42.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 74.52 112.505 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.571 ' O ' HD12 ' B' ' 56' ' ' LEU . 2.2 m-20 -55.81 107.22 0.82 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.582 0.23 . . . . 63.05 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.98 -26.49 74.08 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.584 2.19 . . . . 52.15 112.327 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -33.38 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 73.14 111.034 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.758 ' O ' HD13 ' B' ' 59' ' ' LEU . 1.1 m80 -77.45 -44.5 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 74.11 110.721 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.571 HD12 ' O ' ' B' ' 52' ' ' ASP . 5.2 mp -71.28 -32.82 69.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.939 0.4 . . . . 53.33 110.157 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.93 -40.05 31.58 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.751 -0.737 . . . . 72.44 111.831 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 73.3 110.803 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.843 ' O ' HG23 ' B' ' 63' ' ' VAL . 3.9 mp -62.71 -47.23 84.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.331 -0.395 . . . . 60.14 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -46.47 89.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.76 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -61.94 -39.02 90.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 52.41 110.718 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -44.74 88.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 62.43 110.651 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 59' ' ' LEU . 38.8 t -57.08 -32.01 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 53.41 110.965 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.73 -28.95 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.719 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -82.04 1.18 37.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.259 -0.428 . . . . 73.03 111.526 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.4 t -81.51 104.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.981 0.42 . . . . 74.32 110.73 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.5 120.69 6.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 70.54 110.809 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.16 19.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.713 . . . . 74.01 112.777 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.613 HG13 ' O ' ' B' ' 7' ' ' GLU . 61.9 t -79.11 123.08 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 120.863 0.363 . . . . 75.03 110.764 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.66 -59.61 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 75.41 111.048 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -166.7 169.15 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.942 -0.572 . . . . 71.54 111.133 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.94 135.07 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.956 -0.565 . . . . 72.14 111.13 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.3 125.34 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 71.41 111.355 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.647 ' HD2' HG11 ' B' ' 2' ' ' VAL . 8.0 ttp180 -65.77 117.29 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.514 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.704 ' O ' HG23 ' B' ' 76' ' ' THR . 11.1 t -85.82 131.55 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 70.32 111.2 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.704 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.7 OUTLIER -170.27 108.56 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.909 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 24.8 t -108.56 120.36 42.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 64.34 110.858 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.51 109.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 72.03 111.022 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.283 -0.865 . . . . 72.31 111.152 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 1' ' ' LEU . 2.5 pp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.854 0.359 . . . . 75.31 111.232 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.22 146.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.238 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.61 163.44 13.46 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.999 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 48' ' ' PHE . 23.9 mt -144.27 132.31 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.934 0.397 . . . . 71.33 111.552 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.549 ' HG3' HG21 ' A' ' 75' ' ' VAL . 1.8 mt-30 -107.15 105.68 15.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.048 -0.524 . . . . 71.15 110.536 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.531 HG13 HG22 ' A' ' 72' ' ' VAL . 21.8 t -102.61 112.65 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.258 -0.428 . . . . 64.13 111.291 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.7 tt0 -89.54 128.54 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.642 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.662 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.35 165.0 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.985 0.421 . . . . 73.52 111.443 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 14' ' ' LEU . 68.0 mt -51.94 144.32 11.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 53.54 111.053 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -63.94 83.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.14 111.098 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -153.51 127.56 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.852 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.878 ' ND1' HD12 ' B' ' 29' ' ' ILE . 60.9 t60 -60.11 -28.93 68.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 72.33 110.877 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 0.2 OUTLIER -56.2 -38.01 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 71.35 110.824 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.4 mt -62.39 -41.28 98.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 72.12 110.827 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.6 mm? -61.55 -47.78 84.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 73.23 110.586 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.46 ' HB2' HG22 ' B' ' 19' ' ' THR . 37.6 t -61.47 -41.04 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.867 -0.606 . . . . 64.41 110.546 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.76 -41.53 99.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.723 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 14' ' ' LEU . 28.5 t -66.74 -39.68 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 63.45 110.826 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.443 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.9 m -66.14 -38.62 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 72.25 110.506 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.48 -42.04 99.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 73.3 110.647 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.44 87.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.955 -0.566 . . . . 74.43 110.87 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 27' ' ' VAL . 31.8 mt -66.98 -49.81 64.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.809 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.961 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.78 -30.47 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.833 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.38 22.43 14.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.53 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? 58.78 41.56 21.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 53.02 111.016 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 22' ' ' LEU . 27.5 t -94.02 128.48 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.136 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.21 112.45 25.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.846 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.47 135.23 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.144 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -85.51 -34.64 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.922 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 t -173.21 162.92 4.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 72.51 111.077 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 45' ' ' ARG . . . -168.13 154.71 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 42.04 111.01 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.2 t -163.61 130.63 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 71.53 110.91 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.639 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.6 p -112.88 136.99 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.455 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 p -136.63 154.04 50.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.084 -0.507 . . . . 73.22 110.783 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -58.23 121.75 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 71.24 110.985 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.486 ' HB3' HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -80.57 -36.94 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 63.51 110.807 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.93 -89.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.853 -0.689 . . . . 40.34 112.295 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.23 -78.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 74.35 110.638 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 33.05 2.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.108 0.48 . . . . 74.31 110.172 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 37' ' ' SER . 11.6 p -137.46 141.17 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.651 -0.704 . . . . 74.23 111.233 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.63 123.66 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.075 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.639 ' C ' HG23 ' A' ' 34' ' ' VAL . 6.5 tp -89.99 120.41 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.269 -0.423 . . . . 70.43 111.131 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -98.1 125.26 43.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.884 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -97.14 148.29 23.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.155 -0.475 . . . . 43.44 110.595 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -145.32 149.69 35.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.996 0.427 . . . . 64.33 111.187 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' HD13 ' A' ' 1' ' ' LEU . 93.2 m -145.55 122.86 11.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 74.21 110.537 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.73 131.99 14.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.334 -0.394 . . . . 74.22 111.213 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.9 115.84 26.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.836 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.99 165.78 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.923 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.76 -40.64 0.9 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 74.22 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 4.1 m-20 -58.04 109.84 2.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.529 0.205 . . . . 72.15 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.76 -15.96 18.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.437 2.091 . . . . 73.44 112.721 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -43.81 97.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.379 . . . . 72.32 111.118 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 13.9 p80 -77.77 -34.12 52.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.732 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.536 HD13 ' HZ ' ' A' ' 48' ' ' PHE . 53.4 tp -73.51 -36.05 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 75.0 110.144 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.0 29.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.722 -0.752 . . . . 74.1 111.756 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -80.39 -24.3 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.721 0.296 . . . . 71.33 110.979 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.906 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 mt -57.31 -44.87 84.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.86 0.362 . . . . 71.53 110.967 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.96 -49.73 76.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.042 -0.527 . . . . 71.12 110.961 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.44 -37.37 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 75.44 110.717 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.28 74.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.754 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -58.05 -29.73 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 74.43 110.768 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.1 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 71.05 110.514 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -78.37 -3.91 45.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 74.2 111.321 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.5 t -76.96 104.13 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 120.836 0.351 . . . . 74.54 110.827 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.36 121.23 5.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 74.1 110.644 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -23.34 21.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.657 -0.782 . . . . 72.24 112.49 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 8' ' ' ALA . 44.0 t -86.11 125.21 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.838 0.351 . . . . 72.24 111.05 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -73.63 -54.72 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.24 111.28 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -166.71 169.21 13.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 73.2 111.065 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 6' ' ' VAL . 21.9 t -131.19 137.93 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.315 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -135.46 124.26 23.94 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.229 -0.442 . . . . 63.23 110.984 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.71 110.28 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.699 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' A' ' 5' ' ' GLN . 33.9 t -85.91 158.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.261 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 75' ' ' VAL . 1.6 p -137.11 -43.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 75.33 111.033 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.15 91.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.957 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.24 -167.53 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 51.12 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.255 -0.879 . . . . 63.12 111.155 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.876 0.37 . . . . 74.32 111.23 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.6 t -82.26 130.43 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.183 -0.462 . . . . 71.32 111.168 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 76' ' ' THR . . . -95.78 152.31 18.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 72.13 111.172 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.4 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 25.1 mt -133.42 136.48 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 75.25 111.424 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HB2' HG23 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -110.21 113.02 25.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.817 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -102.63 112.8 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.294 -0.412 . . . . 54.42 111.323 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.604 ' O ' HG13 ' B' ' 69' ' ' VAL . 1.9 mt-10 -91.86 137.42 32.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.824 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.45 145.32 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 75.53 111.161 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.494 HD11 HD11 ' B' ' 14' ' ' LEU . 3.4 pp -59.44 147.56 36.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.89 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.69 110.88 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.941 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.43 148.82 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.53 110.903 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -88.46 60.19 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.876 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -177.79 -39.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 73.14 110.897 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 18' ' ' VAL . 81.4 mt -56.76 -38.91 73.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.477 . . . . 70.11 110.905 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.78 ' CD2' HG21 ' B' ' 34' ' ' VAL . 5.2 mt -60.54 -51.42 69.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.095 -0.502 . . . . 73.21 110.579 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -60.45 -35.94 77.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.768 -0.651 . . . . 63.11 110.405 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -43.63 94.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 73.14 110.568 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 14' ' ' LEU . 38.7 t -64.03 -46.12 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 75.1 110.614 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 16' ' ' SER . 0.2 OUTLIER -67.48 -41.38 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 41.42 110.247 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -36.04 74.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.601 . . . . 75.32 110.727 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 70.35 110.704 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -72.41 -34.3 67.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.804 -0.635 . . . . 75.11 110.561 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' HG2' ' A' ' 13' ' ' ARG . . . -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.047 -0.524 . . . . 75.2 111.146 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.38 -37.71 62.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.923 0.392 . . . . 74.53 110.939 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -99.3 22.27 10.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.855 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 25.41 6.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 75.5 111.292 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.86 88.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 53.34 110.428 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -63.88 100.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 74.34 111.131 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.878 HD12 ' ND1' ' A' ' 12' ' ' HIS . 7.5 mt -88.11 138.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.62 . . . . 75.34 110.121 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 47' ' ' THR . 5.6 mt -74.53 -23.18 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 74.53 111.03 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.48 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -150.22 137.86 19.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.88 0.371 . . . . 64.02 110.916 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.472 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -137.34 121.59 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 74.31 110.355 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 73.7 p -157.98 140.12 14.24 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.876 0.37 . . . . 63.14 111.766 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.78 HG21 ' CD2' ' B' ' 15' ' ' LEU . 11.5 p -131.14 131.86 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.047 -0.524 . . . . 72.43 111.094 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -136.55 147.56 47.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.31 -0.404 . . . . 74.23 110.983 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -69.66 137.15 51.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.951 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.787 ' OG ' HD11 ' B' ' 43' ' ' ILE . 3.0 t -76.73 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.925 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.6 -94.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.769 . . . . 71.54 112.466 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.481 ' O ' HG23 ' B' ' 41' ' ' VAL . 5.3 t0 -111.18 110.96 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 74.2 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 60.17 40.94 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.949 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.7 t -137.21 139.16 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.155 -0.475 . . . . 72.23 111.205 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -122.3 143.86 49.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 44.34 111.125 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.787 HD11 ' OG ' ' B' ' 37' ' ' SER . 26.8 mt -130.2 117.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.177 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.2 OUTLIER -98.14 152.05 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.744 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' SER . 12.7 mtm-85 -140.69 122.05 14.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.279 -0.419 . . . . 75.41 110.355 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.669 ' HB3' HG21 ' B' ' 29' ' ' ILE . 74.8 m-85 -127.7 125.32 39.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.964 0.411 . . . . 74.55 111.577 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.441 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.9 m -111.55 115.02 28.48 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.902 -0.59 . . . . 74.41 109.753 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.645 ' HB3' HG23 ' B' ' 29' ' ' ILE . 2.7 p90 -139.39 171.93 13.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 75.24 111.472 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.89 165.88 14.95 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.871 -0.604 . . . . 73.22 110.616 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.401 ' CG ' ' CD1' ' B' ' 56' ' ' LEU . 3.0 ttp -108.8 161.06 15.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.007 0.432 . . . . 70.1 111.512 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.31 -61.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.8 -0.636 . . . . 74.52 112.111 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.49 103.06 44.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.482 0.182 . . . . 63.05 110.57 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.57 -27.9 82.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.448 2.099 . . . . 52.15 112.463 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.24 -34.38 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 73.14 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -44.38 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 74.11 110.624 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.401 ' CD1' ' CG ' ' B' ' 50' ' ' MET . 4.1 mt -70.06 -32.34 70.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 53.33 110.059 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.43 -44.35 34.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.715 -0.755 . . . . 72.44 111.721 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -31.36 59.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 73.3 110.752 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 63' ' ' VAL . 16.4 mt -64.3 -47.57 78.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.268 -0.423 . . . . 60.14 111.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -49.21 77.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 72.13 110.791 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -61.98 -39.66 92.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 52.41 110.555 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.18 91.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 62.43 110.701 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.3 t -56.69 -31.87 36.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.937 -0.574 . . . . 53.41 111.055 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.36 -29.61 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.826 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -82.46 2.0 34.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.03 111.663 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' B' ' 63' ' ' VAL . 22.4 t -81.79 104.15 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.849 0.357 . . . . 74.32 110.773 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -54.07 119.63 5.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.037 -0.529 . . . . 70.54 110.989 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.17 19.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 74.01 112.735 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.604 HG13 ' O ' ' B' ' 7' ' ' GLU . 45.3 t -81.02 124.3 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.773 0.321 . . . . 75.03 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -62.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.911 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.77 169.07 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.032 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' B' ' 63' ' ' VAL . 21.7 t -120.95 128.69 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.984 -0.553 . . . . 72.14 111.085 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.3 130.18 34.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.346 -0.388 . . . . 71.41 111.156 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.06 123.76 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 73.22 110.85 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.482 HG12 ' N ' ' B' ' 76' ' ' THR . 75.9 t -85.83 158.21 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 70.32 111.183 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.482 ' N ' HG12 ' B' ' 75' ' ' VAL . 2.9 t 43.72 77.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.648 . . . . 70.41 111.499 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 28.9 t -96.45 -30.79 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.892 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.55 144.92 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.03 111.062 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.196 -0.907 . . . . 72.31 111.13 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.926 0.393 . . . . 75.31 111.215 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.29 141.87 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.2 111.194 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.499 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -98.21 152.43 19.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.088 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.668 HD11 ' CE2' ' A' ' 48' ' ' PHE . 23.5 mt -130.79 132.11 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.421 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -109.37 104.75 13.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.571 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 72' ' ' VAL . 25.3 t -104.83 112.82 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.266 -0.424 . . . . 64.13 111.311 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.573 ' O ' HG13 ' A' ' 69' ' ' VAL . 1.1 mt-10 -89.98 130.58 36.16 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.108 -0.497 . . . . 72.24 110.663 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.42 165.24 33.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.339 -0.391 . . . . 73.52 111.17 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 40' ' ' ARG . 6.1 mt -52.84 145.08 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 53.54 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -62.57 83.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.132 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -153.5 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.787 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.858 ' ND1' HD12 ' B' ' 29' ' ' ILE . 59.7 t60 -60.66 -26.63 67.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 72.33 110.734 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -56.75 -40.7 76.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 71.35 110.74 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.5 mt -65.79 -43.2 89.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 72.12 110.745 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 44' ' ' SER . 3.6 mm? -61.13 -49.17 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.538 . . . . 73.23 110.578 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 64.41 110.487 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.64 -41.02 96.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.045 -0.525 . . . . 74.11 110.538 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 14' ' ' LEU . 32.7 t -68.12 -37.73 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 63.45 110.778 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -66.19 -38.21 87.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 72.25 110.482 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.14 -40.32 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 73.3 110.636 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.86 92.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 74.43 110.83 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.506 HD23 HD21 ' A' ' 59' ' ' LEU . 87.5 mt -65.57 -47.92 74.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 75.54 110.752 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.09 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -31.73 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -101.79 20.83 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.53 111.187 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm 57.92 30.6 19.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 53.02 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 25' ' ' GLU . 30.9 t -79.79 96.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.02 111.05 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.14 110.22 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.934 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -89.22 129.24 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 49' ' ' GLU . 13.2 mt -83.71 -38.13 21.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.693 ' HB3' HG22 ' B' ' 35' ' ' THR . 3.9 m -173.17 170.92 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.06 155.21 8.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 42.04 111.217 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.63 134.83 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.776 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.497 HG23 ' C ' ' A' ' 43' ' ' ILE . 13.5 p -122.97 139.66 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.0 0.429 . . . . 74.4 111.649 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -136.7 132.97 35.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.831 -0.622 . . . . 73.22 110.742 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.4 108.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.24 111.05 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.784 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -59.95 -68.8 0.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 63.51 110.802 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.746 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -113.44 -91.93 1.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.864 -0.684 . . . . 40.34 112.456 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -76.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 74.35 110.802 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -96.59 33.11 1.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.054 0.454 . . . . 74.31 110.487 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.746 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.8 m -137.46 122.29 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.745 -0.662 . . . . 74.23 111.237 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.81 125.59 46.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 74.01 111.263 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.784 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.7 mt -89.85 109.53 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 70.43 110.819 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.481 ' HB3' HD11 ' A' ' 15' ' ' LEU . 60.3 p -101.46 123.89 46.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 73.14 111.29 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -99.96 151.04 21.79 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.026 -0.534 . . . . 43.44 110.623 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -145.76 125.47 13.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.928 0.394 . . . . 64.33 111.177 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -111.8 126.4 55.03 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.044 -0.525 . . . . 74.21 110.681 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.6 p90 -150.65 138.47 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 74.22 111.116 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.4 tt0 -88.8 112.67 23.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.144 -0.48 . . . . 64.54 110.936 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.8 mmt -150.01 164.29 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 73.44 110.979 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.23 17.07 4.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.74 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.7 m-20 -106.39 120.93 46.98 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.608 0.242 . . . . 72.15 110.806 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.29 -24.2 2.09 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.564 2.176 . . . . 73.44 112.767 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -44.24 79.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.32 111.363 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 5.3 p-80 -77.73 -39.27 44.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.327 -0.397 . . . . 71.35 110.436 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 56' ' ' LEU . 6.9 tt -70.71 -32.73 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 75.0 110.016 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -43.25 29.06 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.81 -0.709 . . . . 74.1 111.689 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -71.68 -30.13 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 71.33 110.72 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.899 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.65 -43.69 85.13 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.867 0.365 . . . . 71.53 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD23 ' CG1' ' A' ' 72' ' ' VAL . 5.7 mt -57.57 -48.92 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 71.12 110.858 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.76 -41.53 95.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.62 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.08 99.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 71.12 110.8 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 59' ' ' LEU . 33.2 t -57.17 -30.14 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 74.43 110.901 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -60.34 -30.59 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 71.05 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -78.48 -3.52 43.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 74.2 111.445 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.8 t -77.25 104.13 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.853 0.358 . . . . 74.54 110.747 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' O ' HD21 ' A' ' 14' ' ' LEU . 6.2 pt-20 -53.26 118.88 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.063 -0.517 . . . . 74.1 110.867 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -20.74 25.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.644 -0.789 . . . . 72.24 112.533 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.5 t -88.36 127.45 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 120.846 0.355 . . . . 72.24 111.173 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.2 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 63.24 111.192 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -166.74 169.07 13.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 73.2 111.184 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.56 ' CG2' HG11 ' A' ' 63' ' ' VAL . 21.5 t -121.88 135.39 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.041 -0.527 . . . . 73.25 111.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 128.47 31.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.414 -0.357 . . . . 63.23 111.186 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -69.08 117.39 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.875 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 17.4 t -85.91 140.21 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 75.21 111.26 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.482 HG22 ' C ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER 169.44 163.58 0.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.685 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -72.97 103.78 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.95 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.34 94.13 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 51.12 110.982 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.309 -0.853 . . . . 63.12 111.064 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.816 HD11 ' CD1' ' B' ' 30' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.882 0.372 . . . . 74.32 111.146 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 t -128.03 139.4 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.188 -0.46 . . . . 71.32 111.182 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.851 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -99.73 154.39 18.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.851 HD13 ' O ' ' B' ' 3' ' ' ALA . 11.4 mm -137.53 131.91 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.254 -0.43 . . . . 75.25 111.366 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.36 107.45 18.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.105 -0.498 . . . . 65.12 110.52 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.65 112.93 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.29 -0.413 . . . . 54.42 111.41 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.605 ' O ' HG13 ' B' ' 69' ' ' VAL . 16.3 mt-10 -95.97 136.58 36.22 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.785 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.31 152.2 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 75.53 111.061 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.44 148.17 29.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.928 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.87 98.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 73.03 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.458 ' HB2' HD12 ' B' ' 14' ' ' LEU . 0.6 OUTLIER -124.27 -169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 62.53 110.94 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -111.68 -29.82 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 73.15 110.993 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -99.6 -25.21 14.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 73.14 111.251 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.684 HD21 ' O ' ' B' ' 67' ' ' GLU . 9.6 mt -54.55 -39.46 67.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.433 -0.349 . . . . 70.11 111.004 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.707 HD22 HG11 ' B' ' 34' ' ' VAL . 24.0 mt -59.27 -55.2 37.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.321 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.19 -31.19 68.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.74 -0.663 . . . . 63.11 110.249 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.36 -46.47 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 73.14 110.272 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 14' ' ' LEU . 25.4 t -64.58 -42.83 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 75.1 110.526 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.681 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.78 -40.98 79.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.601 . . . . 41.42 110.197 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -69.48 -36.54 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 75.32 110.759 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.29 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 70.35 110.71 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 29' ' ' ILE . 40.7 mt -72.41 -30.99 65.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.788 -0.642 . . . . 75.11 110.66 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.48 57.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 75.2 111.069 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.18 -36.93 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 74.53 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.14 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 73.12 110.982 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 25.35 8.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.335 -0.393 . . . . 75.5 111.178 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -59.25 91.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.331 -0.395 . . . . 53.34 110.542 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -63.83 100.33 0.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.971 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.858 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.0 mt -88.27 127.98 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 75.34 110.234 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' B' ' 1' ' ' LEU . 68.5 mt -74.34 -22.24 59.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 74.53 110.828 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -140.56 134.19 30.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.64 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.68 121.52 16.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.435 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -156.85 128.2 6.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.836 0.351 . . . . 63.14 111.814 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.707 HG11 HD22 ' B' ' 15' ' ' LEU . 9.3 p -131.11 121.58 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.087 -0.506 . . . . 72.43 111.048 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 31' ' ' SER . 81.0 p -136.63 154.02 50.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.283 -0.417 . . . . 74.23 111.164 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -80.18 129.9 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.838 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.429 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -80.16 -26.52 39.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.144 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.65 -114.12 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.705 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.01 117.59 35.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 74.2 111.163 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 52.75 36.25 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 65.54 111.237 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.584 ' O ' HG13 ' B' ' 41' ' ' VAL . 9.1 p -137.59 107.55 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 72.23 111.059 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -104.14 145.72 29.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 44.34 111.152 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.429 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.0 mt -130.11 114.23 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.216 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.78 146.98 25.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.738 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -133.19 120.34 21.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.296 -0.411 . . . . 75.41 110.296 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.574 ' HB3' HG21 ' B' ' 29' ' ' ILE . 90.7 m-85 -129.52 125.36 36.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.959 0.409 . . . . 74.55 111.665 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 80.1 m -116.3 115.1 25.31 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.816 -0.629 . . . . 74.41 109.694 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' B' ' 29' ' ' ILE . 2.9 p90 -136.2 171.25 14.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.104 0.478 . . . . 75.24 111.624 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -88.31 125.53 34.72 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.651 -0.704 . . . . 73.22 110.546 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.696 ' SD ' HD22 ' B' ' 56' ' ' LEU . 2.0 ttp -108.97 157.26 18.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.982 0.42 . . . . 70.1 111.449 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.05 -45.72 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.084 -0.579 . . . . 74.52 112.234 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.43 142.02 24.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.623 0.249 . . . . 63.05 110.71 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -77.6 -26.16 7.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.613 2.209 . . . . 52.15 112.618 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.32 -34.56 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.14 111.318 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -77.41 -44.29 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.839 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.696 HD22 ' SD ' ' B' ' 50' ' ' MET . 6.3 tp -73.6 -31.73 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 53.33 110.241 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.22 -42.34 28.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.732 . . . . 72.44 111.9 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -30.67 57.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.834 0.349 . . . . 73.3 110.867 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.872 ' O ' HG23 ' B' ' 63' ' ' VAL . 11.3 mt -62.85 -47.9 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.423 . . . . 60.14 110.962 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.45 -45.33 94.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 72.13 110.718 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.59 -38.27 89.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 52.41 110.785 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.68 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 62.43 110.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.4 t -57.67 -31.96 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 53.41 110.927 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -61.16 -28.33 69.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.693 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -81.69 1.0 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.467 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 63' ' ' VAL . 22.2 t -79.01 104.17 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 120.85 0.357 . . . . 74.32 110.671 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.684 ' O ' HD21 ' B' ' 14' ' ' LEU . 3.9 tt0 -52.53 120.11 5.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 70.54 110.967 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' B' ' 14' ' ' LEU . . . 110.2 -24.06 19.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.846 -0.692 . . . . 74.01 112.709 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.605 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.5 t -81.32 124.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.776 0.322 . . . . 75.03 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -60.15 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.962 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.78 169.1 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.863 -0.608 . . . . 71.54 110.943 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.47 HG21 ' CG1' ' B' ' 63' ' ' VAL . 23.8 t -129.31 136.06 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.133 -0.485 . . . . 72.14 111.219 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.3 133.14 38.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.275 -0.421 . . . . 71.41 111.168 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -71.94 112.75 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.552 ' O ' HG23 ' B' ' 76' ' ' THR . 21.4 t -85.85 159.03 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.221 -0.445 . . . . 70.32 111.235 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.552 HG23 ' O ' ' B' ' 75' ' ' VAL . 8.8 p -160.37 138.14 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 70.41 110.895 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.62 -35.33 13.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 64.34 110.874 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.7 84.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 72.03 111.119 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.221 -0.895 . . . . 72.31 111.113 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.821 0.343 . . . . 75.31 111.207 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.6 t -82.25 145.93 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.156 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.42 162.57 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.25 -0.432 . . . . 74.21 110.989 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 48' ' ' PHE . 26.6 mt -138.46 132.08 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.33 -0.395 . . . . 71.33 111.377 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -106.81 104.73 14.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.979 -0.555 . . . . 71.15 110.539 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.43 112.75 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.257 -0.429 . . . . 64.13 111.299 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.568 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.2 tt0 -90.59 129.18 36.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.655 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.645 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.35 166.03 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.381 . . . . 73.52 111.321 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 14' ' ' LEU . 7.0 mt -51.16 143.33 11.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.54 111.095 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.622 ' OD2' HG23 ' A' ' 36' ' ' THR . 3.1 m-20 -62.77 82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 71.14 111.122 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.61 121.84 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.794 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.842 ' ND1' HD12 ' B' ' 29' ' ' ILE . 44.6 t60 -60.23 -19.69 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 72.33 110.852 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.69 81.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.904 0.383 . . . . 71.35 110.565 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.2 mt -65.96 -61.05 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 72.12 110.648 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' B' ' 32' ' ' ALA . 0.0 OUTLIER -51.61 -36.49 46.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 73.23 110.739 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 p -65.83 -50.16 65.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 64.41 110.379 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.0 -38.72 83.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 74.11 110.611 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 14' ' ' LEU . 22.6 t -67.29 -39.51 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 63.45 110.775 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.72 HG21 HD22 ' B' ' 15' ' ' LEU . 72.4 m -64.62 -41.13 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 72.25 110.461 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -60.24 -42.38 95.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.89 -0.595 . . . . 73.3 110.663 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.84 91.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 74.43 110.874 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 27' ' ' VAL . 77.6 mt -64.98 -52.28 57.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.731 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.09 73.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.968 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.36 -29.8 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.867 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -101.7 20.55 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 72.53 111.085 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt 60.38 40.43 17.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 53.02 111.006 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 22' ' ' LEU . 24.3 t -92.45 93.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.102 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -65.11 113.57 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.02 110.929 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -92.91 125.13 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 49' ' ' GLU . 55.7 mt -75.64 -37.86 59.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 72.1 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 171.54 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 72.51 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.84 155.72 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 42.04 111.148 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -163.58 128.91 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 71.53 110.744 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' HB3' ' B' ' 32' ' ' ALA . 13.7 p -115.87 141.41 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.977 0.418 . . . . 74.4 111.652 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -136.69 149.0 47.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.951 -0.568 . . . . 73.22 110.715 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.622 HG23 ' OD2' ' A' ' 10' ' ' ASP . 5.4 m -69.61 109.5 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.042 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.752 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.958 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 -86.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 40.34 112.376 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.77 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 74.35 110.746 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -96.98 32.62 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 74.31 110.357 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 37' ' ' SER . 3.2 m -137.54 130.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.65 -0.704 . . . . 74.23 111.186 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -128.68 123.63 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.01 111.228 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.752 HD11 ' OG ' ' A' ' 37' ' ' SER . 8.6 mt -89.77 109.74 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 70.43 110.846 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 1.1 t -98.06 123.86 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 73.14 111.27 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' CD2' ' A' ' 46' ' ' PHE . 2.8 mpt_? -99.8 148.14 24.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.085 -0.507 . . . . 43.44 110.635 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 21.5 m-85 -146.88 125.54 12.55 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.957 0.408 . . . . 64.33 111.322 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -114.1 121.11 42.79 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.957 -0.565 . . . . 74.21 110.551 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -150.87 140.74 21.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.904 0.383 . . . . 74.22 111.272 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.566 ' HB2' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -88.82 125.39 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 64.54 110.843 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.777 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -149.97 165.84 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.44 111.056 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.92 -43.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.83 -0.7 . . . . 74.22 112.429 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.46 121.07 45.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.54 0.209 . . . . 72.15 110.833 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.52 -31.12 9.2 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.411 2.074 . . . . 73.44 112.39 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -64.32 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.917 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -77.56 -44.27 29.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.66 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 50' ' ' MET . 6.9 mt -69.96 -33.87 72.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 75.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.07 -40.45 34.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.685 -0.769 . . . . 74.1 111.759 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.69 -31.03 64.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 71.33 110.859 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.887 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.3 mp -62.24 -46.77 87.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.961 0.41 . . . . 71.53 110.913 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -49.28 77.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 71.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -60.96 -39.19 88.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.743 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 71.12 110.853 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 59' ' ' LEU . 16.1 t -57.49 -29.94 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.017 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -61.34 -29.12 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 71.05 110.867 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -81.87 0.83 37.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.414 . . . . 74.2 111.541 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -79.01 104.21 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 120.901 0.381 . . . . 74.54 110.789 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.28 120.46 6.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 74.1 110.565 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -21.19 24.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 72.24 112.583 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.9 t -87.18 128.14 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 120.778 0.323 . . . . 72.24 111.073 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -77.68 -54.4 6.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 63.24 111.281 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -166.68 169.15 13.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 73.2 111.093 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.2 t -125.07 138.61 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.465 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -135.52 126.39 27.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.149 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 120.95 14.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.9 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.691 HG12 HG23 ' A' ' 76' ' ' THR . 57.8 t -101.21 161.18 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.302 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.691 HG23 HG12 ' A' ' 75' ' ' VAL . 18.7 p 56.96 -170.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 75.33 111.095 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -170.94 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 74.21 110.844 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.37 172.02 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 51.12 111.106 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.205 -0.903 . . . . 63.12 111.103 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.842 0.353 . . . . 74.32 111.195 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.492 HG11 HD11 ' B' ' 56' ' ' LEU . 22.2 t -128.08 139.52 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.143 -0.481 . . . . 71.32 111.205 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -102.32 163.39 12.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.056 -0.52 . . . . 72.13 110.997 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' B' ' 48' ' ' PHE . 28.8 mt -140.58 131.95 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.29 -0.413 . . . . 75.25 111.546 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -108.52 106.22 16.21 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.005 -0.543 . . . . 65.12 110.585 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.408 HG13 HG22 ' B' ' 72' ' ' VAL . 28.5 t -102.45 113.87 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.309 -0.405 . . . . 54.42 111.552 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.648 ' HB3' HD12 ' B' ' 43' ' ' ILE . 2.4 pt-20 -101.8 124.53 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 75.13 110.604 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -145.34 166.19 26.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.53 111.297 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.432 ' O ' HD23 ' B' ' 14' ' ' LEU . 76.0 mt -59.13 138.24 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -60.73 96.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 73.03 110.927 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.59 167.57 19.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 62.53 110.799 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -86.59 -64.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.926 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -26.91 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' B' ' 8' ' ' ALA . 11.4 tp -54.85 -40.16 69.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.276 -0.42 . . . . 70.11 110.935 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.72 HD22 HG21 ' A' ' 19' ' ' THR . 1.7 tt -59.03 -53.91 53.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.529 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -58.69 -34.2 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 63.11 110.378 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.2 -45.83 89.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 73.14 110.387 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 14' ' ' LEU . 23.7 t -63.37 -44.52 99.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 75.1 110.567 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.641 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.75 -41.09 88.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.635 . . . . 41.42 110.321 179.485 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -68.49 -37.5 80.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 75.32 110.786 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.56 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 70.35 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' B' ' 46' ' ' PHE . 78.8 mt -71.39 -32.5 68.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.821 -0.627 . . . . 75.11 110.641 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.13 -25.85 58.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.043 -0.526 . . . . 75.2 111.154 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -37.42 59.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.945 0.402 . . . . 74.53 110.94 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.34 19.62 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 73.12 110.946 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.07 27.13 7.18 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.29 -0.414 . . . . 75.5 111.19 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.45 92.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 53.34 110.549 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -63.88 100.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.856 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.842 HD12 ' ND1' ' A' ' 12' ' ' HIS . 6.6 mt -87.73 129.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 75.34 110.549 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' B' ' 47' ' ' THR . 78.5 mt -74.58 -31.84 62.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 74.53 109.908 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.425 ' O ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -132.97 131.18 40.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.801 -0.636 . . . . 64.02 110.381 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.542 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . -138.73 122.0 17.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.559 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.9 p -159.65 135.48 8.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.933 0.397 . . . . 63.14 111.65 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.449 ' O ' HG13 ' B' ' 34' ' ' VAL . 12.2 p -131.13 122.8 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.067 -0.515 . . . . 72.43 111.087 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 11.3 t -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.0 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 21.0 p -61.65 134.52 56.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.93 -35.45 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.896 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.31 -80.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.834 -0.698 . . . . 71.54 112.334 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -135.51 -71.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 74.2 110.682 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -98.67 34.13 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.035 0.445 . . . . 65.54 110.369 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.49 138.98 44.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.681 . . . . 72.23 111.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.31 121.82 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 44.34 111.03 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' B' ' 7' ' ' GLU . 0.7 OUTLIER -105.23 131.43 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.285 -0.416 . . . . 62.24 111.238 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.84 154.78 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 61.43 110.658 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.03 117.55 14.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.313 -0.403 . . . . 75.41 110.461 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.546 ' CD2' HD13 ' B' ' 29' ' ' ILE . 56.8 m-85 -124.05 125.38 44.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.26 -0.427 . . . . 74.55 111.507 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.484 ' O ' ' N ' ' B' ' 30' ' ' LEU . 39.0 m -113.17 115.3 28.03 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.909 -0.587 . . . . 74.41 110.046 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.461 ' CE1' HD11 ' B' ' 4' ' ' ILE . 4.5 p90 -132.96 148.99 52.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.944 0.402 . . . . 75.24 111.519 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -95.02 111.98 23.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.788 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 165.73 31.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 70.1 111.089 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.99 15.19 3.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 74.52 112.702 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.65 99.14 23.39 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.578 0.228 . . . . 63.05 110.867 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.16 -25.83 31.1 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.463 2.109 . . . . 52.15 112.43 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 73.14 111.093 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.494 ' O ' HD12 ' B' ' 59' ' ' LEU . 65.6 m80 -77.53 -44.2 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.685 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.677 ' O ' HD23 ' B' ' 56' ' ' LEU . 4.3 tt -72.18 -32.27 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.197 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.51 -41.65 29.37 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.733 -0.746 . . . . 72.44 111.851 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 13.6 m80 -74.95 -30.77 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 110.75 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.823 ' O ' HG23 ' B' ' 63' ' ' VAL . 4.2 mt -64.54 -49.22 72.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 60.14 110.8 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -49.82 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.931 -0.577 . . . . 72.13 110.727 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -61.94 -33.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 52.41 110.585 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.28 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.43 110.738 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 59' ' ' LEU . 16.7 t -56.05 -32.16 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.938 -0.573 . . . . 53.41 111.125 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -60.1 -31.34 69.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.735 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -77.06 -7.94 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.03 111.421 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' B' ' 63' ' ' VAL . 19.9 t -76.65 104.17 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 120.851 0.358 . . . . 74.32 110.763 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.97 120.76 5.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.539 . . . . 70.54 110.849 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -24.05 19.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 74.01 112.714 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.726 HG11 HG12 ' B' ' 63' ' ' VAL . 70.3 t -80.4 121.95 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.859 0.361 . . . . 75.03 110.959 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.86 -59.04 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 75.41 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.88 169.06 13.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 71.54 111.186 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' B' ' 63' ' ' VAL . 21.8 t -131.5 140.0 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.887 -0.597 . . . . 72.14 111.092 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -135.25 122.98 22.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.296 -0.411 . . . . 71.41 111.199 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -65.38 110.12 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.803 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.61 ' O ' HG23 ' B' ' 76' ' ' THR . 21.6 t -85.95 159.0 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.199 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.61 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.8 OUTLIER -165.39 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 70.41 110.949 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.93 120.28 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.34 110.921 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.84 103.05 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.03 111.096 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.234 -0.888 . . . . 72.31 111.103 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 30' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.834 0.35 . . . . 75.31 111.083 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -82.35 139.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 64.2 111.118 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.639 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -104.63 157.45 17.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.992 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 3' ' ' ALA . 22.4 mm -136.89 131.97 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.27 -0.423 . . . . 71.33 111.399 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.52 114.42 28.52 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.017 -0.538 . . . . 71.15 110.354 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.39 112.87 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.833 0.349 . . . . 64.13 111.705 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -95.99 107.92 20.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.526 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -139.17 169.04 18.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.844 0.354 . . . . 73.52 111.467 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 40' ' ' ARG . 35.2 tp -54.83 153.7 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 53.54 111.045 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.695 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 21.7 p-10 -66.57 79.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 71.14 111.246 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.57 133.92 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.639 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.748 ' HB2' HD12 ' B' ' 29' ' ' ILE . 2.2 p-80 -68.02 -13.33 62.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.306 . . . . 72.33 111.187 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -29.36 65.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 71.35 110.831 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.655 ' HG ' ' HB1' ' A' ' 8' ' ' ALA . 3.8 mm? -65.51 -60.27 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 72.12 110.804 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -57.0 -37.26 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.605 . . . . 73.23 110.698 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.45 ' HB3' HG22 ' B' ' 19' ' ' THR . 6.6 p -67.13 -41.0 86.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.529 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 74.11 110.563 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.6 t -67.64 -38.24 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 63.45 110.679 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.808 ' HA ' HD12 ' A' ' 22' ' ' LEU . 75.7 m -65.81 -37.39 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.547 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -60.5 -40.49 91.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.982 -0.554 . . . . 73.3 110.679 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.4 88.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 19' ' ' THR . 12.8 mt -65.04 -48.71 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 75.54 110.826 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.09 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 73.12 111.105 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.31 -30.89 68.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.31 110.935 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -102.88 21.68 15.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.164 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.94 39.14 29.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.039 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.41 107.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 63.02 111.111 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.29 126.81 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 63.02 110.966 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.31 131.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.177 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.914 ' HB2' HG23 ' A' ' 47' ' ' THR . 70.5 mt -75.14 -36.66 61.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.873 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -171.12 164.87 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.51 111.039 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -159.51 146.84 16.95 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.267 -0.424 . . . . 42.04 111.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -163.59 138.63 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 71.53 110.852 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.535 HG11 HD22 ' A' ' 15' ' ' LEU . 14.2 p -130.94 143.12 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.423 -0.353 . . . . 74.4 111.421 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -136.76 154.03 50.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.22 110.877 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 p -75.89 114.06 14.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 71.24 111.092 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.759 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.09 -38.45 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 63.51 111.253 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.33 74.59 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.493 -0.86 . . . . 40.34 112.928 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 63.17 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 74.35 111.593 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -92.56 31.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 74.31 111.232 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 37' ' ' SER . 11.6 t -137.82 139.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 74.23 110.957 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -134.71 115.76 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 74.01 111.418 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.759 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.5 mt -89.93 109.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 70.43 110.707 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.81 141.67 30.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.839 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -143.84 121.96 12.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.099 -0.501 . . . . 43.44 110.459 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 18.7 p90 -143.47 139.13 29.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.983 0.421 . . . . 64.33 111.629 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.914 HG23 ' HB2' ' A' ' 30' ' ' LEU . 10.0 t -106.46 137.86 43.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.864 -0.607 . . . . 74.21 110.595 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.93 169.67 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 74.22 111.061 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.73 165.7 14.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.87 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.48 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -149.95 165.76 31.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.976 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.86 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.558 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' HD23 ' A' ' 56' ' ' LEU . 7.0 m-20 -100.86 147.15 33.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 72.15 110.907 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.49 -27.78 10.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.534 2.156 . . . . 73.44 112.434 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -62.17 -36.58 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -43.23 33.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 71.35 110.613 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 50' ' ' MET . 4.1 mm? -69.32 -33.99 73.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 75.0 110.093 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.05 -40.96 33.49 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.705 -0.76 . . . . 74.1 111.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -74.07 -32.57 63.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 71.33 110.681 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.9 tp -63.33 -47.57 81.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.822 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -47.15 86.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 71.12 110.768 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -62.35 -38.04 88.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.44 110.637 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.28 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.783 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 59' ' ' LEU . 16.7 t -57.51 -31.77 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.042 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -62.08 -27.7 69.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.05 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -80.57 -0.99 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 74.2 111.477 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 63' ' ' VAL . 24.4 t -75.81 104.16 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.926 0.393 . . . . 74.54 110.695 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' O ' HD11 ' A' ' 14' ' ' LEU . 2.1 tp10 -51.63 119.98 4.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 74.1 110.832 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.589 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.13 -23.3 21.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.587 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 8' ' ' ALA . 44.2 t -85.52 117.53 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.861 0.362 . . . . 72.24 111.098 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.05 -50.83 37.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.031 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.73 168.88 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 73.2 111.219 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG21 HG11 ' A' ' 63' ' ' VAL . 23.5 t -131.53 140.21 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 73.25 111.035 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -135.41 122.25 21.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.362 -0.381 . . . . 63.23 111.217 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.51 111.21 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.863 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 76' ' ' THR . 16.9 t -85.79 159.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 75.21 111.167 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 75' ' ' VAL . 1.7 p -161.59 102.65 1.2 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.57 103.84 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.19 75.73 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 51.12 111.057 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 63.12 111.108 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.953 0.406 . . . . 74.32 111.212 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.18 149.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 71.32 111.279 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -126.59 157.53 38.62 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.937 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.65 HD11 ' HE2' ' B' ' 48' ' ' PHE . 9.3 mt -132.87 132.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 75.25 111.431 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.72 104.73 13.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.168 -0.469 . . . . 65.12 110.501 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.457 HG13 HG22 ' B' ' 72' ' ' VAL . 21.4 t -102.83 112.91 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 120.868 0.365 . . . . 54.42 111.648 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 69' ' ' VAL . 37.4 tt0 -93.43 134.16 35.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.546 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.767 ' HB1' HD23 ' B' ' 14' ' ' LEU . . . -159.27 160.25 35.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 75.53 111.39 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.89 153.73 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 73.32 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -70.11 65.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.072 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -112.98 129.62 56.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 62.53 110.944 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -57.57 -28.31 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 73.15 111.028 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -29.5 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.938 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.767 HD23 ' HB1' ' B' ' 8' ' ' ALA . 1.8 mp -59.16 -51.53 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 70.11 110.943 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.4 HD13 HG21 ' B' ' 34' ' ' VAL . 50.5 tp -56.44 -49.51 74.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 73.21 110.565 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -61.66 -35.08 76.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.608 . . . . 63.11 110.217 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.671 ' OD2' HG13 ' B' ' 66' ' ' VAL . 5.4 t0 -62.3 -44.7 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.298 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 14' ' ' LEU . 41.9 t -63.8 -51.87 64.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 75.1 110.592 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 16' ' ' SER . 0.2 OUTLIER -62.35 -32.58 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 41.42 110.142 179.381 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -45.89 74.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.056 -0.52 . . . . 75.32 110.551 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.49 -43.99 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 70.35 110.453 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.719 HD23 HD11 ' B' ' 59' ' ' LEU . 17.3 mt -77.14 -27.59 53.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 75.11 110.329 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.419 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . . . -66.41 -33.14 75.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 75.2 110.941 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.66 -30.71 22.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.809 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLU . . . . . 0.547 ' HG3' ' CE1' ' B' ' 55' ' ' HIS . 5.7 mm-40 -111.07 -13.35 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.972 -0.558 . . . . 73.12 110.985 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt 67.08 38.79 3.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.877 0.37 . . . . 75.5 110.998 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.495 HG11 ' CE1' ' B' ' 48' ' ' PHE . 32.0 t -60.92 107.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 53.34 110.493 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.87 102.04 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.104 0.478 . . . . 74.34 110.829 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.748 HD12 ' HB2' ' A' ' 12' ' ' HIS . 7.2 mt -85.48 133.21 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.662 -0.699 . . . . 75.34 110.308 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 30' ' ' LEU . 28.3 mt -74.44 -25.2 59.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 74.53 110.686 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.468 ' H ' HG22 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -150.91 131.4 13.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.633 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.491 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . -136.21 121.57 19.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.51 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -157.41 142.71 17.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.926 0.393 . . . . 63.14 111.648 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.0 p -131.16 136.91 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.084 -0.507 . . . . 72.43 111.252 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.3 p -136.62 153.75 50.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.119 -0.492 . . . . 74.23 110.932 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.9 p -78.84 123.65 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.42 110.941 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.788 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -64.58 -67.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.976 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.66 -99.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 71.54 112.542 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.521 ' O ' HG23 ' B' ' 41' ' ' VAL . 2.9 t70 -105.84 110.32 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 74.2 110.928 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.77 39.53 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.6 t -137.18 136.66 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.172 -0.467 . . . . 72.23 111.17 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.13 144.04 50.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 44.34 111.15 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.788 HD11 ' OG ' ' B' ' 37' ' ' SER . 25.8 mt -130.06 113.85 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.258 -0.428 . . . . 62.24 111.275 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 5.1 p -97.96 147.67 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.43 110.714 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -133.78 121.07 21.33 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.327 -0.397 . . . . 75.41 110.345 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.462 ' HB3' HG21 ' B' ' 29' ' ' ILE . 63.2 m-85 -125.06 125.25 43.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.986 0.422 . . . . 74.55 111.53 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 55.9 m -112.47 115.21 28.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.888 -0.596 . . . . 74.41 109.7 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.65 ' HE2' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -147.53 162.09 39.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.096 0.474 . . . . 75.24 111.784 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 152.05 22.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.708 -0.678 . . . . 73.22 110.526 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.566 ' HE1' ' HB3' ' B' ' 55' ' ' HIS . 0.4 OUTLIER -149.96 148.38 29.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.929 0.395 . . . . 70.1 111.26 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.33 -36.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.806 -0.711 . . . . 74.52 112.346 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.39 128.53 28.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.536 0.208 . . . . 63.05 110.823 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.93 -12.54 21.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.509 2.14 . . . . 52.15 112.632 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.01 -43.32 79.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 73.14 111.112 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.566 ' HB3' ' HE1' ' B' ' 50' ' ' MET . 2.4 t-80 -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.576 ' O ' HD23 ' B' ' 56' ' ' LEU . 1.3 tt -71.72 -32.43 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 53.33 110.281 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.55 -39.94 28.72 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.674 -0.774 . . . . 72.44 111.928 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -78.26 -29.36 48.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.729 0.299 . . . . 73.3 110.878 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 63' ' ' VAL . 64.0 tp -64.48 -46.29 83.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.903 0.382 . . . . 60.14 110.916 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.426 HD13 HD23 ' B' ' 56' ' ' LEU . 3.8 mp -58.98 -51.25 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.962 -0.563 . . . . 72.13 110.727 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.39 -37.08 82.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 52.41 110.593 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.09 96.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 62.43 110.683 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.4 t -56.22 -32.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 53.41 111.099 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -59.67 -30.43 68.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.813 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -75.03 -7.15 52.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 73.03 111.368 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.671 HG13 ' OD2' ' B' ' 17' ' ' ASP . 27.4 t -74.98 104.17 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 120.832 0.348 . . . . 74.32 110.632 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -51.19 120.09 4.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.057 -0.52 . . . . 70.54 110.89 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.402 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.2 -24.16 19.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 74.01 112.777 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' B' ' 8' ' ' ALA . 60.7 t -80.85 121.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 75.03 111.01 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -68.65 -58.53 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.066 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.86 169.07 13.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 71.54 111.132 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.457 HG22 HG13 ' B' ' 6' ' ' VAL . 21.4 t -127.29 131.73 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.056 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.41 124.22 23.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.329 -0.396 . . . . 71.41 111.042 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.56 121.8 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.824 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 76' ' ' THR . 8.0 t -85.87 148.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 70.32 111.176 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.605 HG23 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -162.55 -74.1 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.41 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 57.8 m -129.7 -46.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.17 81.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.03 111.122 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.883 . . . . 72.31 111.106 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 1' ' ' LEU . 7.5 tt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.881 0.372 . . . . 75.31 111.181 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 t -82.3 138.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 64.2 111.248 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -105.6 160.93 14.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.961 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 48' ' ' PHE . 20.8 mt -135.86 132.03 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.332 -0.395 . . . . 71.33 111.494 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -106.35 104.81 14.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.545 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.443 HG13 HG22 ' A' ' 72' ' ' VAL . 21.2 t -105.01 112.74 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.376 -0.374 . . . . 64.13 111.548 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.38 126.45 38.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.447 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.832 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -156.5 167.61 29.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.389 . . . . 73.52 111.602 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.872 HD13 ' O ' ' A' ' 40' ' ' ARG . 4.0 mm? -55.17 153.72 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 53.54 111.061 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.37 81.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 71.14 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -149.49 125.89 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.799 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' B' ' 26' ' ' LYS . 0.3 OUTLIER -58.84 -27.67 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.404 -0.362 . . . . 72.33 111.073 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.257 -0.429 . . . . 71.35 111.09 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.832 HD13 ' HB1' ' A' ' 8' ' ' ALA . 68.0 mt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.827 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.7 mm? -62.92 -41.62 99.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.542 . . . . 73.23 110.607 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -65.7 -38.35 88.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.887 -0.597 . . . . 64.41 110.509 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -42.73 88.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.642 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 14' ' ' LEU . 31.2 t -66.22 -41.28 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 63.45 110.89 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 m -67.13 -37.31 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 72.25 110.619 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -65.39 -38.38 89.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 73.3 110.791 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.6 98.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 74.43 110.966 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 27' ' ' VAL . 71.5 mt -67.64 -46.78 71.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.882 -0.599 . . . . 75.54 110.867 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.74 -28.7 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.119 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.49 -31.12 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 72.31 110.949 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' HB3' HG23 ' A' ' 27' ' ' VAL . 3.3 tt0 -106.22 25.69 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 72.53 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.55 30.57 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 53.02 111.102 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 25' ' ' GLU . 26.3 t -79.22 96.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.09 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 117.1 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 63.02 110.913 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.83 130.77 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.025 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -40.55 59.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.743 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.935 ' CB ' HG22 ' B' ' 35' ' ' THR . 1.7 p -173.2 164.94 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.507 . . . . 72.51 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.37 150.84 12.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 42.04 111.271 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 24.4 p -163.76 138.62 6.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 71.53 110.824 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.781 HG23 ' C ' ' A' ' 43' ' ' ILE . 11.7 p -130.95 141.14 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.392 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 145.41 51.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.838 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 36' ' ' THR . 8.9 t -66.52 106.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.24 111.037 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.785 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -58.17 -37.69 75.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 63.51 110.949 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.671 ' N ' HG23 ' A' ' 41' ' ' VAL . . . -178.69 -113.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.644 -0.789 . . . . 40.34 112.6 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.6 p-10 -91.75 113.26 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 74.35 111.058 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.872 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER 53.07 35.15 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.05 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.671 HG23 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -137.53 128.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 74.23 111.046 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.66 119.74 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.01 111.202 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.785 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.8 mt -89.72 113.12 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 70.43 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.585 ' N ' HG23 ' A' ' 34' ' ' VAL . 3.1 t -97.99 137.61 36.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 73.14 110.96 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -123.41 120.38 32.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 43.44 110.492 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.95 156.69 19.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.943 0.401 . . . . 64.33 111.366 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.581 HG23 HD21 ' A' ' 1' ' ' LEU . 35.2 m -140.47 116.64 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 74.21 110.463 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.3 p90 -150.73 132.44 14.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.064 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.85 116.0 26.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.179 -0.464 . . . . 64.54 110.918 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.2 mmt -149.97 165.85 31.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.985 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.75 -47.46 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.491 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 1.3 m-20 -57.78 110.19 2.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.611 0.244 . . . . 72.15 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 82.7 Cg_endo -77.81 -0.86 11.05 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.421 2.081 . . . . 73.44 112.896 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -76.49 -41.43 47.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 72.32 111.451 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 30.8 p80 -77.32 -44.39 29.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 71.35 110.932 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 53' ' ' PRO . 3.5 pp -73.77 -28.65 61.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.984 0.421 . . . . 75.0 110.089 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.64 -46.61 18.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.766 -0.73 . . . . 74.1 111.798 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.2 -30.9 62.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.791 0.329 . . . . 71.33 110.658 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.1 mt -59.34 -39.24 82.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.758 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD22 ' HD2' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -58.74 -51.3 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 71.12 110.697 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -61.42 -39.75 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.442 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.53 87.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 71.12 110.653 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 59' ' ' LEU . 39.8 t -56.06 -30.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 74.43 110.835 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -58.38 -32.96 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 71.05 110.726 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -9.37 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 74.2 111.276 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 63' ' ' VAL . 22.0 t -74.18 104.1 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.85 0.357 . . . . 74.54 110.714 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.61 120.19 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 74.1 110.819 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -23.35 21.2 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.783 -0.722 . . . . 72.24 112.485 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.744 HG11 HG12 ' A' ' 63' ' ' VAL . 52.0 t -85.54 119.01 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.847 0.356 . . . . 72.24 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -72.01 -53.23 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 63.24 111.142 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -166.73 169.17 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.134 -0.485 . . . . 73.2 111.245 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 63' ' ' VAL . 22.0 t -130.55 136.33 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.092 -0.504 . . . . 73.25 111.243 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -135.39 124.31 24.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.316 -0.402 . . . . 63.23 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HD2' HD22 ' A' ' 60' ' ' LEU . 3.9 mpp_? -65.39 114.41 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.823 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.6 t -85.85 145.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.21 111.31 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.7 p -151.61 111.24 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.861 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -75.97 164.53 26.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.967 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.61 141.75 43.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 51.12 111.098 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.16 -0.924 . . . . 63.12 111.137 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.694 HD23 HD13 ' B' ' 30' ' ' LEU . 2.9 mp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.856 0.36 . . . . 74.32 111.182 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 36.0 t -82.29 138.26 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.177 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.838 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -102.43 156.99 17.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.219 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.838 HD13 ' O ' ' B' ' 3' ' ' ALA . 16.3 mm -137.48 132.18 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.213 -0.449 . . . . 75.25 111.274 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.63 108.87 20.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.588 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -102.56 112.88 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.273 -0.421 . . . . 54.42 111.355 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.525 ' O ' HG13 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -96.5 137.76 35.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.698 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.49 163.01 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 75.53 111.205 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.67 ' O ' HD12 ' B' ' 14' ' ' LEU . 6.2 tp -59.27 150.88 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.836 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.34 104.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 73.03 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.404 ' O ' HD13 ' B' ' 15' ' ' LEU . 0.6 OUTLIER -149.95 155.93 40.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 62.53 110.848 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 14.4 p-80 -87.81 -27.88 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 73.15 111.038 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.24 -28.63 23.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 73.14 111.068 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.67 HD12 ' O ' ' B' ' 9' ' ' LEU . 14.2 mt -55.22 -38.29 68.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 70.11 110.95 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.561 ' HG ' HG21 ' B' ' 34' ' ' VAL . 8.4 mp -59.09 -52.25 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.319 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t -60.07 -35.14 74.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 63.11 110.175 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.1 -45.15 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 73.14 110.436 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 14' ' ' LEU . 43.6 t -63.19 -50.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 75.1 110.508 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -32.03 71.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 41.42 110.177 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -65.38 -47.88 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.935 -0.575 . . . . 75.32 110.533 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.46 69.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.595 . . . . 70.35 110.476 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.43 HD13 HD11 ' B' ' 29' ' ' ILE . 52.1 mt -75.43 -30.32 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.741 -0.663 . . . . 75.11 110.318 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.19 72.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.014 -0.539 . . . . 75.2 111.044 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.3 -35.81 29.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.073 0.464 . . . . 74.53 110.577 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.26 -18.4 14.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 73.12 110.592 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 69.63 41.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 75.5 111.071 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.457 ' N ' ' CE1' ' A' ' 12' ' ' HIS . 35.5 t -67.2 109.2 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 53.34 109.997 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -63.83 100.43 0.3 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 74.34 111.147 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' B' ' 46' ' ' PHE . 6.8 mt -87.44 128.66 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.701 -0.681 . . . . 75.34 109.906 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.694 HD13 HD23 ' B' ' 1' ' ' LEU . 3.3 mt -74.45 -22.25 59.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.506 -0.315 . . . . 74.53 110.967 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -146.08 133.13 20.31 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.343 -0.39 . . . . 64.02 110.92 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.498 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -133.59 121.57 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 74.31 110.094 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 54.5 p -155.91 129.49 8.38 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.661 -0.416 . . . . 63.14 111.942 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.561 HG21 ' HG ' ' B' ' 15' ' ' LEU . 7.1 p -131.18 128.94 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.023 -0.535 . . . . 72.43 111.057 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.935 HG22 ' CB ' ' A' ' 31' ' ' SER . 33.0 p -136.68 154.01 50.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.941 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.6 p -76.78 117.96 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.971 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.618 ' OG ' HD11 ' B' ' 43' ' ' ILE . 2.9 t -59.51 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.036 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.654 ' N ' HG23 ' B' ' 41' ' ' VAL . . . -179.47 -113.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 71.54 112.704 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.581 ' O ' HG22 ' B' ' 41' ' ' VAL . 16.2 m-20 -86.38 111.6 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 74.2 111.062 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 50.53 36.74 14.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 65.54 111.231 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.654 HG23 ' N ' ' B' ' 38' ' ' GLY . 0.1 OUTLIER -137.44 124.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 72.23 111.179 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.99 144.21 49.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 44.34 110.977 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.618 HD11 ' OG ' ' B' ' 37' ' ' SER . 16.4 mt -130.11 135.57 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.325 -0.398 . . . . 62.24 111.515 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.71 154.18 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 61.43 110.338 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.548 ' HD3' HG21 ' B' ' 75' ' ' VAL . 9.0 mmm-85 -138.84 117.29 12.03 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.804 0.335 . . . . 75.41 110.568 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' B' ' 29' ' ' ILE . 62.4 m-85 -124.93 125.34 43.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.993 0.425 . . . . 74.55 111.375 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 96.8 m -113.86 115.14 27.25 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.865 -0.607 . . . . 74.41 109.878 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -133.93 171.47 14.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.03 0.443 . . . . 75.24 111.472 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 161.2 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 73.22 110.564 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.595 ' HG3' HD12 ' B' ' 56' ' ' LEU . 2.0 ttt -109.0 155.11 21.27 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.965 0.412 . . . . 70.1 111.367 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.92 -65.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.938 -0.649 . . . . 74.52 112.234 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.42 142.23 24.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.232 . . . . 63.05 110.789 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.28 -32.1 5.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.531 2.154 . . . . 52.15 112.383 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' B' ' 58' ' ' HIS . 0.4 OUTLIER -65.38 -29.33 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 73.14 111.073 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -77.42 -44.25 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.772 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.623 ' O ' HD23 ' B' ' 56' ' ' LEU . 4.1 tt -73.16 -31.3 64.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.405 . . . . 53.33 110.222 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.03 -41.89 26.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.781 -0.723 . . . . 72.44 111.946 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' B' ' 54' ' ' LYS . 9.4 m-70 -77.49 -28.78 52.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.748 0.309 . . . . 73.3 110.898 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.852 ' O ' HG23 ' B' ' 63' ' ' VAL . 11.9 mt -63.95 -50.34 69.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.948 0.404 . . . . 60.14 110.893 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.6 mt -58.92 -45.56 90.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 72.13 110.8 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.91 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 52.41 110.709 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.31 96.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.864 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.852 HG23 ' O ' ' B' ' 59' ' ' LEU . 14.5 t -58.2 -30.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 53.41 110.908 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -61.96 -27.1 68.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 74.12 110.942 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -86.03 8.3 21.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.266 -0.424 . . . . 73.03 111.586 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 63' ' ' VAL . 23.4 t -83.55 104.18 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.845 0.355 . . . . 74.32 110.768 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.6 120.25 6.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.041 -0.527 . . . . 70.54 110.813 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.07 -24.04 19.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.782 -0.723 . . . . 74.01 112.766 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.525 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.4 t -80.67 121.48 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-O 120.795 0.331 . . . . 75.03 111.078 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -70.23 -52.34 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.092 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -166.77 169.17 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.961 -0.563 . . . . 71.54 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.598 HG21 HG11 ' B' ' 63' ' ' VAL . 23.7 t -131.28 134.89 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.061 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.4 131.23 36.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.428 -0.351 . . . . 71.41 111.254 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.3 117.23 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.727 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.548 HG21 ' HD3' ' B' ' 45' ' ' ARG . 18.7 t -85.85 139.32 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.369 -0.378 . . . . 70.32 111.21 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 75' ' ' VAL . 12.8 p -160.0 -60.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 70.41 110.906 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m 61.32 170.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.34 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.01 89.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 72.03 111.11 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.255 -0.879 . . . . 72.31 111.083 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 1' ' ' LEU . 2.6 pp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.856 0.36 . . . . 75.31 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.446 HG13 HG23 ' A' ' 76' ' ' THR . 23.1 t -82.24 149.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 64.2 111.295 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.807 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -121.47 169.54 10.54 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.832 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 3' ' ' ALA . 11.2 mm -139.38 132.03 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.333 -0.394 . . . . 71.33 111.473 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -103.41 104.75 14.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.369 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.7 112.76 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 120.925 0.393 . . . . 64.13 111.536 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 127.21 38.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.0 -0.546 . . . . 72.24 110.362 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -159.34 167.91 27.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 73.52 111.492 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.611 HD23 ' CA ' ' A' ' 68' ' ' GLY . 0.8 OUTLIER -54.36 152.67 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 53.54 110.999 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.565 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 10.2 t0 -64.59 81.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.14 111.292 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -153.71 129.85 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.63 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.665 ' NE2' HG22 ' B' ' 19' ' ' THR . 0.1 OUTLIER -60.99 -27.24 68.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.465 -0.334 . . . . 72.33 110.564 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -26.01 23.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.385 -0.371 . . . . 71.35 111.14 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.6 mm? -68.2 -61.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 72.12 110.925 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' B' ' 32' ' ' ALA . 0.9 OUTLIER -58.76 -32.54 69.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.006 -0.543 . . . . 73.23 110.459 179.666 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -67.39 -43.93 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.565 . . . . 64.41 110.276 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -63.07 -41.47 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.282 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 24.0 t -66.44 -38.13 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 63.45 110.806 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -66.05 -40.55 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.041 -0.527 . . . . 72.25 110.647 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -38.87 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 73.3 110.795 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -43.36 90.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.15 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.27 -45.34 84.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 75.54 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.68 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 73.12 111.07 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -60.39 -31.27 70.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 72.31 110.952 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.82 22.45 14.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.043 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 56.68 30.02 16.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 53.02 111.139 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -80.25 101.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 63.02 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -64.8 122.17 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.965 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.667 HG21 ' HE1' ' A' ' 46' ' ' PHE . 22.3 mt -96.43 130.06 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.3 mt -81.01 -34.66 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 72.1 110.948 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.15 171.51 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 72.51 110.975 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . . . -166.39 146.88 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 42.04 111.218 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.409 ' HG ' ' HB2' ' B' ' 33' ' ' SER . 1.5 m -163.68 140.24 6.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 71.53 110.865 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.74 HG12 ' CB ' ' A' ' 44' ' ' SER . 13.4 m -126.02 146.41 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.864 0.364 . . . . 74.4 111.472 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.857 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.9 p -79.98 109.17 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.975 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB2' HD11 ' A' ' 43' ' ' ILE . 1.1 t -58.3 -35.85 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 63.51 111.05 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 165.73 -93.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.517 -0.849 . . . . 40.34 112.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' O ' HG22 ' A' ' 41' ' ' VAL . 12.6 t70 -102.38 112.38 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 74.35 111.452 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.25 36.62 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.56 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 39' ' ' ASP . 2.2 m -137.56 121.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 74.23 111.047 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -121.19 120.17 34.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.158 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 ' HB2' ' A' ' 37' ' ' SER . 19.5 mt -93.02 119.66 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.106 -0.497 . . . . 70.43 111.185 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.74 ' CB ' HG12 ' A' ' 34' ' ' VAL . 1.4 m -103.83 141.63 35.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.788 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ALA . 61.8 mtp180 -124.73 117.21 23.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.176 -0.465 . . . . 43.44 110.65 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.667 ' HE1' HG21 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -110.74 125.55 53.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.33 -0.395 . . . . 64.33 111.321 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 m -112.49 115.27 28.4 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.073 -0.512 . . . . 74.21 110.567 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -150.93 171.05 17.88 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.357 -0.383 . . . . 74.22 111.238 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -88.81 165.78 14.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 64.54 110.809 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -149.9 148.33 28.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.258 -0.428 . . . . 73.44 111.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.53 -45.9 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.713 . . . . 74.22 112.458 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.0 143.37 26.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.714 0.292 . . . . 72.15 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.33 -27.31 8.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.554 2.169 . . . . 73.44 112.384 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -34.6 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.006 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' HD12 ' A' ' 59' ' ' LEU . 25.0 m-70 -77.56 -44.27 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.774 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.55 -32.98 64.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 75.0 110.246 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.12 -39.68 31.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.759 -0.734 . . . . 74.1 111.878 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.76 -30.98 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 71.33 110.75 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.9 ' O ' HG23 ' A' ' 63' ' ' VAL . 5.4 mt -61.35 -44.71 96.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 71.53 110.761 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.91 -45.93 90.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 71.12 110.706 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.83 -42.13 98.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.44 110.65 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 71.12 110.824 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 59' ' ' LEU . 25.7 t -57.85 -28.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 74.43 110.868 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -62.4 -29.42 70.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 71.05 110.8 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -80.63 -0.66 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 74.2 111.426 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 63' ' ' VAL . 23.7 t -75.56 104.09 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.835 0.35 . . . . 74.54 110.834 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -51.68 120.18 4.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.581 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.611 ' CA ' HD23 ' A' ' 9' ' ' LEU . . . 110.28 -20.98 25.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.661 -0.781 . . . . 72.24 112.626 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.542 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 60.3 t -86.88 126.27 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.874 0.368 . . . . 72.24 111.114 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -79.51 -48.17 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 63.24 111.314 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -166.68 166.48 15.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.2 111.111 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.604 HG21 ' CG1' ' A' ' 63' ' ' VAL . 29.1 t -131.55 134.78 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.254 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -135.47 122.56 21.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.3 -0.409 . . . . 63.23 110.981 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.49 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 75.24 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.695 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 20.8 t -85.92 117.32 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.181 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.446 HG23 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -156.21 -75.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 75.33 110.885 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 p -88.19 113.26 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.868 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.19 -174.38 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.242 -0.885 . . . . 63.12 111.089 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.858 0.361 . . . . 74.32 111.219 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.401 ' CG1' ' CG ' ' B' ' 74' ' ' ARG . 32.6 t -82.18 143.22 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 71.32 111.175 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.426 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -106.38 159.73 15.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.835 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.623 HD12 ' CZ ' ' B' ' 48' ' ' PHE . 32.7 mt -146.67 132.06 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.084 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.583 ' O ' HG13 ' B' ' 72' ' ' VAL . 1.4 tt0 -104.54 135.46 45.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.094 -0.503 . . . . 65.12 110.855 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 t -118.47 112.84 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.238 -0.437 . . . . 54.42 111.08 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.642 ' O ' HG13 ' B' ' 69' ' ' VAL . 4.2 tt0 -94.19 136.73 34.16 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.903 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.37 147.47 17.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.53 111.192 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' B' ' 11' ' ' ARG . 2.8 pp -58.98 140.96 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 102.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.986 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -153.39 161.37 42.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.836 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 12' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' B' ' 13' ' ' ARG . 18.8 p-80 -81.79 146.3 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.948 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' HIS . 3.9 ttm-85 84.71 -20.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.967 -0.56 . . . . 73.14 111.73 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.74 HD21 ' O ' ' B' ' 67' ' ' GLU . 6.1 mt -63.83 -51.82 62.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.98 0.419 . . . . 70.11 110.795 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.728 HD22 HG21 ' B' ' 34' ' ' VAL . 43.9 mt -57.25 -51.68 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.979 -0.555 . . . . 73.21 110.548 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.39 -34.77 72.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.79 -0.641 . . . . 63.11 110.445 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.55 -45.69 89.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 73.14 110.425 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 14' ' ' LEU . 44.0 t -62.87 -48.09 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.641 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.665 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -62.66 -36.87 84.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 41.42 110.204 179.542 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.04 -43.89 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 75.32 110.672 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.01 75.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 70.35 110.643 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.65 -31.73 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.75 -0.659 . . . . 75.11 110.544 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.403 ' HB2' ' HE1' ' A' ' 12' ' ' HIS . . . -71.88 -26.58 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 75.2 111.105 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.43 -28.23 12.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 74.53 111.13 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -120.86 18.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.12 111.214 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 50.03 31.5 4.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.472 -0.331 . . . . 75.5 111.234 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.58 98.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 53.34 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -64.05 106.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.876 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.642 HD12 ' CD2' ' A' ' 12' ' ' HIS . 4.4 mt -94.85 129.44 45.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 75.34 110.55 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 47' ' ' THR . 85.4 mt -74.71 -29.33 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.366 . . . . 74.53 110.417 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -136.65 131.43 33.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.876 179.493 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.531 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -142.28 121.42 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.545 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.409 ' HB2' ' HG ' ' A' ' 33' ' ' SER . 90.8 p -163.58 141.34 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.903 0.382 . . . . 63.14 111.737 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.728 HG21 HD22 ' B' ' 15' ' ' LEU . 11.1 p -131.19 133.59 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.969 -0.559 . . . . 72.43 110.969 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.5 t -136.58 150.92 48.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.931 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 128.92 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.855 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.508 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -66.72 -67.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.823 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.61 -79.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 71.54 112.45 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.6 -66.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.794 0.33 . . . . 74.2 110.762 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -97.49 37.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.54 110.676 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.3 117.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 72.23 111.234 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -110.0 142.39 41.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 44.34 111.059 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.508 HD11 ' OG ' ' B' ' 37' ' ' SER . 25.0 mt -130.11 116.73 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.264 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 4.8 t -104.98 152.26 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.76 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -138.85 118.43 12.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.37 -0.377 . . . . 75.41 110.469 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' B' ' 31' ' ' SER . 70.7 m-85 -126.71 125.3 41.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.963 0.411 . . . . 74.55 111.399 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 30' ' ' LEU . 23.4 m -112.34 115.26 28.46 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.94 -0.573 . . . . 74.41 110.006 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.623 ' CZ ' HD12 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -129.24 155.11 46.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 75.24 111.27 -179.365 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -125.5 112.0 15.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.936 -0.575 . . . . 73.22 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mtp -150.05 165.77 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 70.1 110.991 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.37 25.96 8.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.808 -0.71 . . . . 74.52 112.514 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -106.36 104.47 50.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.494 0.188 . . . . 63.05 110.871 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -34.51 24.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.461 2.107 . . . . 52.15 112.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.31 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 73.14 110.883 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -44.27 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.62 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.58 -33.35 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 53.33 110.075 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.32 -42.37 28.32 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.701 -0.761 . . . . 72.44 111.799 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -72.39 -26.31 61.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.675 0.274 . . . . 73.3 110.878 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.2 OUTLIER -59.56 -46.15 89.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.913 0.387 . . . . 60.14 110.975 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -49.6 76.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.029 -0.532 . . . . 72.13 110.798 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.59 -35.61 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 52.41 110.673 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.35 77.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 62.43 110.743 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.815 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.8 t -57.24 -31.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.89 -0.596 . . . . 53.41 110.939 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.92 -29.54 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.776 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -80.91 0.04 37.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.535 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.0 t -82.31 104.26 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-O 120.917 0.389 . . . . 74.32 110.661 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.74 ' O ' HD21 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -54.16 120.04 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 70.54 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.08 19.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 74.01 112.906 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.642 HG13 ' O ' ' B' ' 7' ' ' GLU . 59.5 t -78.03 121.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 120.914 0.388 . . . . 75.03 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -70.6 -56.22 7.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.519 . . . . 75.41 111.206 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -166.74 169.15 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.172 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.583 HG13 ' O ' ' B' ' 5' ' ' GLN . 16.4 t -127.03 141.26 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.018 -0.537 . . . . 72.14 111.035 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -135.52 130.41 34.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.91 0.386 . . . . 71.41 111.507 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.401 ' CG ' ' CG1' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -68.88 111.07 4.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.682 179.589 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.708 ' O ' HG23 ' B' ' 76' ' ' THR . 12.7 t -85.79 160.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 70.32 111.183 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.708 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -175.58 -40.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 70.41 110.87 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -58.91 119.1 6.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 64.34 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.3 154.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 72.03 111.128 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.268 -0.873 . . . . 72.31 111.088 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 49' ' ' GLU . 11.5 mt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.79 0.329 . . . . 75.31 111.247 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.536 HG13 ' NE ' ' A' ' 74' ' ' ARG . 34.0 t -82.28 138.26 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 64.2 111.14 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.65 171.2 7.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.048 -0.524 . . . . 74.21 111.125 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.72 HD11 ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt -139.92 138.99 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.327 -0.397 . . . . 71.33 111.429 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -110.86 106.8 16.07 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.084 -0.507 . . . . 71.15 110.593 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 72' ' ' VAL . 27.4 t -104.51 112.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.293 -0.412 . . . . 64.13 111.28 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -91.89 129.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.963 -0.562 . . . . 72.24 110.528 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.84 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.32 163.4 35.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 73.52 111.338 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.6 tp -50.67 148.77 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 53.54 111.152 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -65.5 82.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.196 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -153.64 120.45 5.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.787 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.942 ' CD2' HD12 ' B' ' 29' ' ' ILE . 27.7 t-80 -57.66 -26.3 61.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.742 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -57.54 -37.98 73.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 71.35 110.524 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.88 ' O ' HG23 ' A' ' 18' ' ' VAL . 82.6 mt -64.67 -40.36 95.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 72.12 110.616 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 12' ' ' HIS . 3.8 mm? -61.62 -50.26 73.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 73.23 110.472 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.0 t -60.81 -40.36 92.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 64.41 110.442 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.34 -41.21 98.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.567 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 14' ' ' LEU . 38.3 t -68.44 -37.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 63.45 110.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.468 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.2 m -67.11 -37.11 83.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.52 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -62.12 -40.26 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 73.3 110.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 74.43 110.879 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 59' ' ' LEU . 23.6 mt -65.59 -54.35 29.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.815 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.067 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.5 -29.97 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.872 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 23.75 13.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 72.53 111.125 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 59.45 47.91 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 53.02 110.935 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 22' ' ' LEU . 30.0 t -102.79 114.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 63.02 111.022 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -88.65 119.32 29.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.02 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.34 126.15 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.106 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.21 -31.1 60.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.753 ' OG ' HG22 ' B' ' 35' ' ' THR . 0.3 OUTLIER -171.27 166.72 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 72.51 111.083 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -168.07 149.26 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 42.04 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 16.9 t -163.61 135.28 4.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.973 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.46 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.2 p -122.5 141.33 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.931 0.396 . . . . 74.4 111.499 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -136.57 132.44 35.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.02 -0.536 . . . . 73.22 110.818 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 t -63.38 111.7 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.113 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.459 ' HB2' HD11 ' A' ' 43' ' ' ILE . 6.2 t -63.2 -76.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 63.51 110.827 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.75 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -105.67 -90.95 2.2 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 40.34 112.493 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -123.77 -72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.793 0.33 . . . . 74.35 110.966 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -97.71 32.94 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 74.31 110.673 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -137.58 121.14 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.701 . . . . 74.23 111.088 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.57 ' HB2' ' OD2' ' A' ' 10' ' ' ASP . . . -119.3 125.05 48.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.333 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' C ' HG23 ' A' ' 34' ' ' VAL . 8.7 mt -89.84 109.27 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 70.43 110.819 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.5 t -98.0 137.77 36.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.14 111.052 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -116.99 148.93 41.03 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.102 -0.499 . . . . 43.44 110.621 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 80.5 m-85 -147.08 125.42 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 64.33 111.239 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.6 m -111.25 116.41 30.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.885 -0.598 . . . . 74.21 110.496 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.72 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -150.98 139.14 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 74.22 111.189 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 1' ' ' LEU . 26.3 mt-10 -88.88 125.23 34.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.154 -0.476 . . . . 64.54 110.929 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 6.9 mmm -149.86 165.43 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 73.44 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 -40.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.779 -0.724 . . . . 74.22 112.607 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.01 107.96 1.0 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.529 0.204 . . . . 72.15 111.137 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.04 -34.45 16.96 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.464 2.11 . . . . 73.44 112.324 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -64.38 -39.44 93.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -77.52 -38.92 47.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 71.35 110.515 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.673 HD21 ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -71.24 -35.12 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 75.0 110.083 179.164 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -39.87 35.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.605 -0.807 . . . . 74.1 111.721 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -73.14 -31.19 64.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 71.33 110.736 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 10.0 tt -61.77 -46.75 88.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.961 0.41 . . . . 71.53 110.893 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -48.0 81.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 71.12 110.778 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -61.17 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.646 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.27 98.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.08 -0.509 . . . . 71.12 110.788 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 15.4 t -57.02 -29.65 32.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.889 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -59.97 -31.13 69.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 71.05 110.695 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -75.24 -6.98 52.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.325 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 63' ' ' VAL . 28.0 t -72.79 104.06 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.875 0.369 . . . . 74.54 110.724 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.58 119.71 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.07 -0.514 . . . . 74.1 110.67 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.529 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 8' ' ' ALA . 62.1 t -85.37 124.97 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.789 0.328 . . . . 72.24 111.154 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -74.97 -54.68 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.24 111.218 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -166.7 169.06 13.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 73.2 111.141 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.406 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.3 t -131.53 133.56 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.144 -0.48 . . . . 73.25 111.311 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.5 138.93 43.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.357 -0.383 . . . . 63.23 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.536 ' NE ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -69.35 120.25 14.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 75.24 110.831 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 58.6 t -86.0 160.56 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.226 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.596 HG23 HG12 ' A' ' 75' ' ' VAL . 9.1 p 60.04 -175.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.93 -0.577 . . . . 75.33 110.956 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -174.14 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.798 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.34 112.44 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 51.12 111.104 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.25 -0.881 . . . . 63.12 111.116 179.924 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.838 0.351 . . . . 74.32 111.19 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.672 HG11 ' HD3' ' B' ' 74' ' ' ARG . 40.9 t -128.08 134.13 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.272 -0.422 . . . . 71.32 111.216 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -97.59 151.25 20.25 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.16 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.589 HD11 ' HE1' ' B' ' 48' ' ' PHE . 16.9 mt -136.03 132.03 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.217 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -105.08 104.75 14.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.517 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.427 HG22 HG13 ' B' ' 72' ' ' VAL . 21.8 t -106.09 112.97 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.515 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.04 144.71 28.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.628 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.931 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -159.4 160.74 35.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 75.53 111.262 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.753 ' O ' HD12 ' B' ' 14' ' ' LEU . 19.9 tp -56.29 132.79 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.32 110.902 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -59.43 99.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.03 111.039 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -142.67 170.18 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 62.53 110.842 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -98.49 30.45 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.915 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -141.48 -43.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.14 111.052 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.931 HD13 ' HB1' ' B' ' 8' ' ' ALA . 17.3 mt -50.72 -38.07 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.11 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.027 HD11 HG11 ' B' ' 34' ' ' VAL . 0.4 OUTLIER -60.15 -55.66 31.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.21 110.513 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.5 t -58.05 -31.87 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.78 -0.645 . . . . 63.11 110.485 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASP . . . . . 0.47 ' OD1' HG13 ' B' ' 66' ' ' VAL . 1.9 t0 -66.04 -46.0 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.596 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 14' ' ' LEU . 11.8 t -64.24 -45.81 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 75.1 110.839 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.501 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.08 -37.23 80.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 41.42 110.132 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -70.6 -39.09 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 75.32 110.703 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.68 76.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 70.35 110.787 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.528 ' O ' HG23 ' B' ' 27' ' ' VAL . 7.2 mt -69.77 -36.49 75.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.647 . . . . 75.11 110.549 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.44 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 75.2 111.137 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -53.05 -36.0 60.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.33 -0.396 . . . . 74.53 110.953 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.51 19.67 20.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.886 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 tttm 54.11 28.9 9.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.42 -0.354 . . . . 75.5 111.08 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 22' ' ' LEU . 36.4 t -57.76 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 53.34 110.592 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.12 100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.042 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.942 HD12 ' CD2' ' A' ' 12' ' ' HIS . 6.1 mt -90.84 130.06 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.856 -0.611 . . . . 75.34 110.337 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 47' ' ' THR . 77.1 mt -74.65 -29.17 61.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.903 0.382 . . . . 74.53 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.2 m -133.04 131.34 40.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.99 -0.55 . . . . 64.02 110.804 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.18 121.42 16.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 74.31 110.144 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 60.2 p -160.13 134.16 7.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.939 0.4 . . . . 63.14 111.919 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 1.027 HG11 HD11 ' B' ' 15' ' ' LEU . 8.6 p -131.15 138.09 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.024 -0.535 . . . . 72.43 111.066 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.753 HG22 ' OG ' ' A' ' 31' ' ' SER . 18.4 p -136.64 152.88 50.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.406 -0.361 . . . . 74.23 111.03 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -91.58 107.85 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.4 ' OG ' HD12 ' B' ' 43' ' ' ILE . 0.8 OUTLIER -89.53 146.4 24.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.874 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.59 -82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 71.54 112.386 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -166.74 -66.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.323 . . . . 74.2 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -96.8 38.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.777 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.35 134.44 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 115.977 -0.556 . . . . 72.23 111.169 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.43 113.13 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 44.34 111.166 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.4 HD12 ' OG ' ' B' ' 37' ' ' SER . 26.7 mt -95.75 125.14 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.055 -0.52 . . . . 62.24 111.243 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 150.28 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.893 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -135.1 119.96 18.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.281 -0.418 . . . . 75.41 110.343 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' B' ' 31' ' ' SER . 61.5 m-85 -129.71 125.39 35.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.05 0.452 . . . . 74.55 111.616 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 88.4 m -116.07 119.64 36.51 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.791 -0.64 . . . . 74.41 110.092 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.589 ' HE1' HD11 ' B' ' 4' ' ' ILE . 2.5 p90 -138.23 147.33 43.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.973 0.416 . . . . 75.24 111.498 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -91.19 111.91 23.59 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.92 -0.582 . . . . 73.22 110.776 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 150.24 31.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.381 -0.372 . . . . 70.1 111.192 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.49 -32.29 1.81 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.885 -0.674 . . . . 74.52 112.374 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.03 110.67 3.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.481 0.181 . . . . 63.05 110.775 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.41 -27.31 33.91 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.449 2.099 . . . . 52.15 112.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -63.02 -40.37 97.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.888 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -77.5 -34.91 53.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 74.11 110.628 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -36.01 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 53.33 110.126 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.04 -38.17 36.01 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.753 -0.737 . . . . 72.44 111.816 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -30.41 52.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 73.3 110.78 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.777 ' O ' HG23 ' B' ' 63' ' ' VAL . 7.5 tt -66.63 -55.28 16.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.933 0.396 . . . . 60.14 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -45.7 81.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.746 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.77 -38.78 92.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 52.41 110.65 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.75 95.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.827 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 59' ' ' LEU . 23.1 t -57.83 -32.37 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 53.41 110.94 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -61.07 -26.99 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.892 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.91 -7.99 54.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 73.03 111.388 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 63' ' ' VAL . 40.0 t -71.08 104.07 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 120.911 0.386 . . . . 74.32 110.583 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.68 ' O ' HD21 ' B' ' 14' ' ' LEU . 62.7 tt0 -52.34 116.9 2.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 70.54 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.03 -19.6 27.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.811 -0.709 . . . . 74.01 112.742 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 66' ' ' VAL . 5.5 p -70.91 126.09 30.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.337 . . . . 75.03 111.124 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -68.2 -60.52 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 75.41 110.836 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -167.21 169.1 12.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.54 111.069 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' B' ' 63' ' ' VAL . 33.1 t -131.38 126.42 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.115 -0.493 . . . . 72.14 111.003 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.32 131.93 37.06 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.894 0.378 . . . . 71.41 111.25 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.672 ' HD3' HG11 ' B' ' 2' ' ' VAL . 8.2 mtm180 -69.83 119.48 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 73.22 110.747 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.7 ' O ' HG23 ' B' ' 76' ' ' THR . 14.5 t -85.76 147.6 5.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.389 . . . . 70.32 111.231 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.7 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -178.01 102.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 70.41 110.814 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -158.79 127.15 5.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 64.34 110.904 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.96 83.65 5.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.072 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.217 -0.896 . . . . 72.31 111.098 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.865 0.364 . . . . 75.31 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.03 139.82 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.188 -0.46 . . . . 64.2 111.293 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.59 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -105.79 161.47 14.39 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.068 -0.515 . . . . 74.21 110.976 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.655 HD11 ' CE2' ' A' ' 48' ' ' PHE . 21.0 mt -135.32 131.96 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.328 -0.396 . . . . 71.33 111.407 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.84 105.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.26 -0.427 . . . . 71.15 110.495 179.64 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.6 t -104.11 112.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.279 -0.419 . . . . 64.13 111.486 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -93.1 128.02 38.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.439 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.671 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -158.02 168.09 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 73.52 111.401 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -53.43 144.54 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 53.54 110.947 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.471 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 21.9 t70 -63.55 81.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 71.14 111.085 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -153.49 142.07 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 74.23 110.884 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.855 ' CD2' HD12 ' B' ' 29' ' ' ILE . 19.5 t-80 -72.17 -10.56 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 72.33 111.253 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -69.06 -37.96 78.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.834 0.35 . . . . 71.35 110.827 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.8 mm? -63.28 -44.94 93.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.521 . . . . 72.12 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.4 mm? -61.68 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.59 . . . . 73.23 110.805 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.532 ' HA ' HG21 ' B' ' 19' ' ' THR . 68.9 p -64.24 -42.48 96.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 64.41 110.465 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.83 -41.43 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 74.11 110.696 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 14' ' ' LEU . 34.8 t -68.13 -37.42 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.512 . . . . 63.45 110.829 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -67.28 -37.91 84.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.544 . . . . 72.25 110.544 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -61.04 -39.55 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.3 110.713 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.05 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 74.43 110.947 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.677 HD13 HG12 ' A' ' 29' ' ' ILE . 86.7 mt -65.4 -45.37 84.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.08 -32.71 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.021 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.94 -33.48 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.31 111.004 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' HB3' HG23 ' A' ' 27' ' ' VAL . 8.8 tt0 -104.76 22.06 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 72.53 111.197 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.47 30.17 12.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.396 -0.366 . . . . 53.02 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 25' ' ' GLU . 22.4 t -73.78 110.84 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 63.02 111.066 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -74.69 113.89 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 63.02 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.677 HG12 HD13 ' A' ' 22' ' ' LEU . 3.5 mp -96.31 123.89 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 73.12 111.095 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 30' ' ' LEU . 21.3 mt -75.08 -35.65 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.779 ' HB3' HG23 ' B' ' 35' ' ' THR . 0.3 OUTLIER -173.11 170.82 4.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 72.51 111.014 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.97 150.19 5.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 42.04 111.273 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -163.61 139.22 6.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 71.53 110.731 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.504 HG23 ' C ' ' A' ' 43' ' ' ILE . 9.6 p -130.91 144.76 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 120.966 0.412 . . . . 74.4 111.416 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.512 ' O ' HD12 ' A' ' 43' ' ' ILE . 33.6 p -134.46 148.27 50.55 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.996 -0.547 . . . . 73.22 110.836 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 t -73.65 108.14 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 71.24 111.121 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.516 ' HB2' HD11 ' A' ' 43' ' ' ILE . 5.7 t -59.34 -32.81 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 63.51 110.902 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.732 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 174.4 -109.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 40.34 112.673 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.32 113.61 25.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 74.35 111.07 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.42 35.4 17.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.31 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG23 ' N ' ' A' ' 38' ' ' GLY . 2.8 m -137.42 130.36 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.099 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -139.17 118.97 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.375 . . . . 74.01 111.263 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.516 HD11 ' HB2' ' A' ' 37' ' ' SER . 0.2 OUTLIER -89.97 114.31 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 70.43 110.922 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 t -97.89 139.82 33.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.939 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 117.53 23.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.486 . . . . 43.44 110.575 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -109.08 151.81 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.253 -0.43 . . . . 64.33 111.162 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.7 m -133.73 118.75 18.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.959 -0.564 . . . . 74.21 110.526 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.2 p90 -150.65 153.69 36.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.282 -0.417 . . . . 74.22 111.089 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -110.57 111.87 23.4 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 27' ' ' VAL . 2.1 ttp -150.03 146.99 27.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.759 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.29 29.58 5.9 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.567 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.46 100.23 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.558 0.218 . . . . 72.15 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.76 -42.95 63.83 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 73.44 112.34 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -31.91 73.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 72.32 110.943 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.49 -43.92 30.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.635 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 -32.7 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 75.0 110.093 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.98 -42.5 37.12 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.726 -0.75 . . . . 74.1 111.808 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -73.88 -33.7 64.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.848 0.356 . . . . 71.33 110.684 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 63' ' ' VAL . 8.1 tp -61.62 -44.83 96.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.759 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -47.32 85.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 71.12 110.803 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.17 -39.38 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.695 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.106 -0.497 . . . . 71.12 110.742 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -56.88 -33.46 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 74.43 111.103 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -60.21 -28.48 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.327 -0.397 . . . . 71.05 110.768 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -80.23 -2.07 43.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.38 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.4 t -77.74 104.14 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 120.834 0.35 . . . . 74.54 110.696 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' HD11 ' A' ' 14' ' ' LEU . 11.7 mt-10 -52.69 120.27 5.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 74.1 110.691 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.49 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.13 -21.37 24.79 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.68 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 8' ' ' ALA . 58.4 t -86.07 123.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.81 0.338 . . . . 72.24 111.03 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -52.46 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.279 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -166.75 169.17 13.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.215 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG21 HG11 ' A' ' 63' ' ' VAL . 21.7 t -128.64 136.3 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.196 -0.456 . . . . 73.25 111.262 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -135.51 121.97 20.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.426 -0.352 . . . . 63.23 111.273 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 116.57 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.804 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.59 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 24.1 t -85.84 131.41 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.275 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.0 p -143.98 -178.42 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.947 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -141.98 120.0 12.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.914 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.14 96.77 3.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 51.12 111.08 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.225 -0.893 . . . . 63.12 111.063 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.797 HD12 ' CD1' ' B' ' 30' ' ' LEU . 2.5 tp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.85 0.357 . . . . 74.32 111.167 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 t -82.19 141.84 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 71.32 111.188 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.446 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -103.58 154.57 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.147 -0.479 . . . . 72.13 111.07 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mt -132.38 132.03 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.206 -0.452 . . . . 75.25 111.555 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.603 ' HG3' HG21 ' B' ' 75' ' ' VAL . 4.2 mt-30 -109.23 108.12 18.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.966 -0.561 . . . . 65.12 110.393 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -102.5 112.86 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.86 0.362 . . . . 54.42 111.711 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.72 ' CG ' HD12 ' B' ' 43' ' ' ILE . 10.0 mt-10 -97.15 132.54 42.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.681 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -154.17 169.91 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 75.53 111.383 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 14' ' ' LEU . 27.8 tp -57.31 150.98 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.53 . . . . 73.32 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -71.04 76.73 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.008 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.558 ' CB ' HD12 ' B' ' 14' ' ' LEU . 24.4 ttp85 -125.15 139.03 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.88 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -64.79 -44.69 89.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.15 111.054 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -30.91 71.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.055 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.707 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.0 mt -56.36 -37.81 70.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 70.11 110.901 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.757 HD22 HG11 ' B' ' 34' ' ' VAL . 39.7 mt -59.76 -55.4 34.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 73.21 110.347 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.83 -33.21 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 63.11 110.335 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.67 -44.94 92.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 73.14 110.376 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 14' ' ' LEU . 22.2 t -66.97 -39.22 82.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 75.1 110.746 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.592 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.45 -38.72 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 41.42 110.457 179.529 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -70.58 -36.99 73.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.614 . . . . 75.32 110.826 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -54.63 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 70.35 110.799 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 27' ' ' VAL . 64.0 mt -69.52 -33.23 72.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.812 -0.631 . . . . 75.11 110.543 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.47 -24.5 62.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 75.2 111.097 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -51.25 -35.44 37.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 74.53 110.923 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -107.56 21.13 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 73.12 110.841 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.93 29.5 10.06 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.334 -0.394 . . . . 75.5 110.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 22' ' ' LEU . 35.5 t -59.32 89.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.34 110.674 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -63.97 100.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 74.34 110.698 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.855 HD12 ' CD2' ' A' ' 12' ' ' HIS . 7.5 mt -85.92 134.11 28.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 75.34 110.322 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.797 ' CD1' HD12 ' B' ' 1' ' ' LEU . 7.4 mt -74.33 -26.55 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.365 . . . . 74.53 110.852 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -143.4 133.87 24.82 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.793 179.56 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.521 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -132.79 121.63 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.413 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.42 ' O ' ' N ' ' B' ' 45' ' ' ARG . 0.9 OUTLIER -155.31 130.79 9.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.805 -0.358 . . . . 63.14 111.694 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.757 HG11 HD22 ' B' ' 15' ' ' LEU . 10.1 p -131.12 120.42 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.43 111.137 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.779 HG23 ' HB3' ' A' ' 31' ' ' SER . 33.5 m -136.66 154.09 50.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.031 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 34.3 p -59.09 129.96 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.42 110.867 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -44.61 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.796 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.533 ' H ' HG23 ' B' ' 41' ' ' VAL . . . -138.69 -76.75 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.898 -0.668 . . . . 71.54 112.407 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.93 -72.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.729 0.3 . . . . 74.2 110.815 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 34.25 1.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.062 0.458 . . . . 65.54 110.374 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.533 HG23 ' H ' ' B' ' 38' ' ' GLY . 5.7 m -137.33 139.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.731 -0.668 . . . . 72.23 111.317 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.96 120.7 33.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 44.34 111.002 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.72 HD12 ' CG ' ' B' ' 7' ' ' GLU . 17.8 tt -106.47 132.83 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.249 -0.432 . . . . 62.24 111.339 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 50.6 m -103.36 155.05 18.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.932 -0.576 . . . . 61.43 110.528 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.2 OUTLIER -137.86 117.26 12.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.309 -0.405 . . . . 75.41 110.189 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.679 ' HB3' HG21 ' B' ' 29' ' ' ILE . 89.8 m-85 -125.34 125.22 43.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.048 0.452 . . . . 74.55 111.633 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 60.9 m -111.2 114.93 28.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.84 -0.618 . . . . 74.41 109.537 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.54 ' HB3' HG23 ' B' ' 29' ' ' ILE . 1.9 p90 -143.34 160.82 39.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.116 0.484 . . . . 75.24 111.825 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.94 146.46 24.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 73.22 110.61 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 48' ' ' PHE . 0.8 OUTLIER -149.96 137.9 20.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.878 0.371 . . . . 70.1 111.197 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.06 -24.69 4.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.813 -0.708 . . . . 74.52 112.534 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.13 101.43 34.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.249 . . . . 63.05 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.94 -24.49 13.96 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 52.15 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -59.76 -40.1 87.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 73.14 111.117 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -77.29 -42.77 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.691 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.438 HD12 ' HZ ' ' B' ' 48' ' ' PHE . 3.0 tp -67.12 -31.9 72.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.949 0.404 . . . . 53.33 110.032 179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -45.01 21.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.806 -0.711 . . . . 72.44 111.803 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -26.58 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.719 0.295 . . . . 73.3 110.833 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.886 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.2 OUTLIER -62.73 -46.2 89.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.934 0.397 . . . . 60.14 110.965 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -59.39 -51.22 70.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.54 . . . . 72.13 110.83 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.12 -36.14 78.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 52.41 110.602 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.728 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 59' ' ' LEU . 19.5 t -56.37 -30.87 31.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 53.41 110.964 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -31.51 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.718 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.52 -7.18 54.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.344 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' B' ' 63' ' ' VAL . 21.9 t -75.9 104.2 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.886 0.374 . . . . 74.32 110.71 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.29 120.15 4.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 70.54 110.895 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.08 -23.96 19.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 74.01 112.668 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.63 HG11 HG12 ' B' ' 63' ' ' VAL . 96.8 t -79.65 113.93 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.847 0.356 . . . . 75.03 110.964 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.78 -49.98 40.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.068 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.88 169.01 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 71.54 111.032 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.501 HG21 HG11 ' B' ' 63' ' ' VAL . 21.9 t -131.47 145.48 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.047 -0.524 . . . . 72.14 111.183 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -135.33 125.86 26.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.051 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -68.43 109.23 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.603 HG21 ' HG3' ' B' ' 5' ' ' GLN . 18.8 t -85.98 160.16 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 70.32 111.11 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.481 ' N ' HG12 ' B' ' 75' ' ' VAL . 0.1 OUTLIER 171.06 -34.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.352 -0.385 . . . . 70.41 110.791 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 12.8 m -55.99 168.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 64.34 111.044 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.53 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 72.03 111.051 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.169 -0.92 . . . . 72.31 111.125 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.872 0.368 . . . . 75.31 111.168 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' A' ' 74' ' ' ARG . 20.0 t -82.23 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 64.2 111.206 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.846 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -106.5 159.81 15.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.176 -0.465 . . . . 74.21 111.003 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.846 HD13 ' O ' ' A' ' 3' ' ' ALA . 21.8 mm -133.34 132.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.295 -0.411 . . . . 71.33 111.389 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.29 104.7 14.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.054 -0.521 . . . . 71.15 110.605 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 72' ' ' VAL . 13.0 t -105.45 112.74 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.248 -0.433 . . . . 64.13 111.319 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.602 ' CG ' HG23 ' A' ' 43' ' ' ILE . 12.5 mt-10 -90.67 134.03 34.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 72.24 110.719 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.887 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.4 164.98 34.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 73.52 111.254 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.6 mm? -54.78 149.41 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 53.54 110.962 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.69 77.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.14 111.146 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.53 128.9 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.812 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' HG22 ' B' ' 19' ' ' THR . 1.5 t-80 -58.98 -28.38 66.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 72.33 110.714 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -38.14 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 71.35 110.812 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.887 HD13 ' HB1' ' A' ' 8' ' ' ALA . 54.2 mt -67.57 -47.38 69.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 72.12 110.783 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.5 mm? -61.43 -44.82 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 73.23 110.557 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 p -62.92 -41.72 99.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 64.41 110.404 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.32 -42.77 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 74.11 110.423 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 14' ' ' LEU . 33.6 t -67.51 -35.95 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 63.45 110.679 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.543 ' HA ' HD12 ' A' ' 22' ' ' LEU . 25.0 m -66.35 -39.2 89.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 72.25 110.463 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.0 -43.85 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.009 -0.541 . . . . 73.3 110.536 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.55 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.56 . . . . 74.43 110.716 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 27' ' ' VAL . 37.0 mt -65.99 -53.87 33.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.942 -0.572 . . . . 75.54 110.631 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -38.54 72.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.999 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.81 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 72.31 110.817 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.41 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.18 45.2 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.912 0.387 . . . . 53.02 111.031 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 22' ' ' LEU . 4.8 m -109.31 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.063 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -64.11 121.28 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.02 111.031 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.3 129.43 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.054 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.97 -33.0 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 t -170.35 171.52 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.068 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -164.55 145.12 7.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 42.04 111.165 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 m -163.61 133.93 4.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 71.53 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.828 HG23 ' C ' ' A' ' 43' ' ' ILE . 15.0 p -128.04 140.82 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-O 120.927 0.394 . . . . 74.4 111.531 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -127.99 154.08 46.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.024 -0.535 . . . . 73.22 110.915 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 p -75.9 127.8 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.055 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 43' ' ' ILE . 40.7 t -109.55 76.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 63.51 110.836 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.61 -81.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 40.34 112.378 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -159.22 -68.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 74.35 110.86 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 9' ' ' LEU . 45.8 mtt-85 -97.95 35.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.02 0.438 . . . . 74.31 110.683 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.44 143.33 34.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.788 -0.642 . . . . 74.23 111.126 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.32 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.01 111.241 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.828 ' C ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.61 107.9 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 70.43 110.643 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.636 ' N ' HG23 ' A' ' 34' ' ' VAL . 1.9 p -98.3 131.41 44.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 73.14 111.158 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.84 117.11 29.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.02 -0.536 . . . . 43.44 110.538 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -109.13 125.59 52.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.959 0.409 . . . . 64.33 111.266 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -105.36 115.39 30.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.016 -0.538 . . . . 74.21 110.661 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 142.4 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.399 . . . . 74.22 111.184 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.82 127.41 35.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 64.54 110.859 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.0 165.86 31.41 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.336 -0.393 . . . . 73.44 111.012 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.65 -43.36 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 74.22 112.471 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.68 109.05 1.44 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.511 0.196 . . . . 72.15 111.019 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.75 -31.52 20.41 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.379 2.053 . . . . 73.44 112.412 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -40.82 92.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.787 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -77.58 -44.42 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.968 -0.56 . . . . 71.35 110.479 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.8 tt -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 75.0 109.997 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.77 -42.56 38.4 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.789 -0.72 . . . . 74.1 111.596 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.36 -33.27 73.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 71.33 110.636 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.895 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.51 -43.86 96.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 71.53 110.799 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.23 -49.45 77.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 71.12 110.821 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.0 -40.66 94.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.628 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.89 93.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 71.12 110.705 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 59' ' ' LEU . 23.2 t -56.89 -30.94 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 74.43 110.96 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -60.11 -30.13 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 71.05 110.799 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -76.16 -5.94 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.419 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 63' ' ' VAL . 26.3 t -74.66 104.2 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 120.879 0.371 . . . . 74.54 110.667 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -51.16 119.82 4.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.544 . . . . 74.1 110.753 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -23.38 21.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.542 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.537 HG22 ' HB2' ' A' ' 8' ' ' ALA . 55.4 t -84.21 126.43 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.825 0.345 . . . . 72.24 111.141 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -73.43 -57.84 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.276 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.72 169.16 13.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.522 . . . . 73.2 111.069 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.538 HG22 HG13 ' A' ' 6' ' ' VAL . 21.8 t -124.67 136.1 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.103 -0.499 . . . . 73.25 111.276 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 133.48 38.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.905 0.383 . . . . 63.23 111.201 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.677 ' HD2' HG11 ' A' ' 2' ' ' VAL . 20.0 ttp180 -71.3 117.17 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.786 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.1 t -85.97 129.1 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.329 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 p -147.01 165.16 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.58 116.88 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.947 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.78 167.78 29.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 51.12 111.109 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.258 -0.877 . . . . 63.12 111.12 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.861 0.362 . . . . 74.32 111.184 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.31 143.4 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 71.32 111.12 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -107.58 169.52 8.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.143 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.6 mt -145.67 132.0 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.949 0.404 . . . . 75.25 111.398 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.53 108.76 20.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.019 -0.537 . . . . 65.12 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.6 112.99 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 54.42 111.593 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.602 ' O ' HG13 ' B' ' 69' ' ' VAL . 1.6 tp10 -96.65 128.31 43.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.745 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.653 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -156.77 151.28 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 75.53 111.056 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.418 HD12 ' O ' ' B' ' 40' ' ' ARG . 11.7 tp -52.78 146.47 10.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 73.32 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' B' ' 36' ' ' THR . 0.3 OUTLIER -71.29 95.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.099 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -125.51 -172.57 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 62.53 110.84 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -103.55 -31.36 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 73.15 110.976 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -96.68 -24.41 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.14 111.082 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.576 HD21 ' O ' ' B' ' 67' ' ' GLU . 2.8 mt -55.55 -42.98 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 70.11 111.064 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 1.038 HD21 HG11 ' B' ' 34' ' ' VAL . 0.4 OUTLIER -59.87 -56.4 22.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.329 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 56.9 p -59.43 -29.27 67.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 63.11 110.292 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -47.31 78.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.925 -0.579 . . . . 73.14 110.328 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 14' ' ' LEU . 46.3 t -65.01 -44.53 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 75.1 110.451 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.488 HG22 ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.51 -38.63 87.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.819 -0.628 . . . . 41.42 110.143 179.267 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.17 -41.71 89.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.607 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.52 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 70.35 110.64 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.505 HD22 HD11 ' B' ' 59' ' ' LEU . 34.8 mt -76.69 -31.22 57.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.703 -0.68 . . . . 75.11 110.495 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB2' ' HE1' ' A' ' 12' ' ' HIS . . . -68.1 -29.09 67.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 75.2 111.099 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -50.73 -28.52 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.53 111.102 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -117.63 19.02 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 73.12 111.212 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 49.96 30.68 4.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.456 -0.338 . . . . 75.5 111.261 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.5 92.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 53.34 110.625 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -63.95 104.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.983 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.667 HD13 ' CD2' ' B' ' 46' ' ' PHE . 4.3 mt -91.91 135.84 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.867 -0.606 . . . . 75.34 110.348 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' THR . 29.6 mt -74.67 -22.35 58.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.729 0.299 . . . . 74.53 111.073 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.432 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -151.08 143.47 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.962 0.411 . . . . 64.02 110.994 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -142.22 121.62 13.19 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.0 -0.545 . . . . 74.31 110.278 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.8 m -154.67 138.08 15.86 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.97 0.414 . . . . 63.14 111.861 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 1.038 HG11 HD21 ' B' ' 15' ' ' LEU . 7.4 p -131.23 135.99 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.869 -0.605 . . . . 72.43 110.829 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.8 p -136.72 154.01 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 74.23 111.158 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.416 HG22 ' OD2' ' B' ' 10' ' ' ASP . 18.6 p -96.93 121.85 39.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.854 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -88.79 -80.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 74.14 111.231 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.69 2.91 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.667 -0.778 . . . . 71.54 112.933 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 68.42 -65.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 74.2 111.249 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.418 ' O ' HD12 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -94.93 35.76 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 65.54 111.22 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.57 113.1 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 72.23 110.712 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -97.32 114.54 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 44.34 111.323 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 33.3 mt -102.58 109.77 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.942 -0.572 . . . . 62.24 110.928 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.93 149.4 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.43 110.781 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.59 117.94 11.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.524 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' B' ' 29' ' ' ILE . 80.1 m-85 -121.78 125.25 46.09 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.143 -0.481 . . . . 74.55 111.235 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 41.5 m -111.0 115.24 29.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.13 -0.486 . . . . 74.41 110.194 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' B' ' 56' ' ' LEU . 3.4 p90 -138.85 171.34 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 75.24 111.175 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.42 165.78 14.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 73.22 110.678 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.1 ttp -108.9 141.26 41.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 70.1 111.178 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.88 -60.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.895 -0.669 . . . . 74.52 112.349 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -106.39 138.71 19.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.555 0.217 . . . . 63.05 110.794 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.27 -39.26 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.505 2.136 . . . . 52.15 112.383 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -63.83 -27.15 68.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 73.14 111.057 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -77.4 -44.38 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 74.11 110.727 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -71.93 -31.67 66.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 53.33 110.204 179.467 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.54 26.75 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 72.44 111.917 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.2 -29.08 42.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.695 0.283 . . . . 73.3 110.889 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.882 ' O ' HG23 ' B' ' 63' ' ' VAL . 6.5 tt -61.47 -45.36 94.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.889 0.376 . . . . 60.14 110.834 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -47.99 83.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 72.13 110.812 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -61.38 -36.96 81.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 52.41 110.786 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.51 86.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 62.43 110.811 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 59' ' ' LEU . 13.9 t -58.2 -30.85 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.53 . . . . 53.41 110.918 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -62.69 -27.29 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.12 110.757 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.14 3.97 28.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.553 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 63' ' ' VAL . 23.7 t -81.02 104.22 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-O 120.934 0.397 . . . . 74.32 110.645 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.576 ' O ' HD21 ' B' ' 14' ' ' LEU . 7.3 mt-10 -53.72 120.17 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 70.54 110.871 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.05 -23.93 20.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.01 112.76 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.653 HG22 ' HB2' ' B' ' 8' ' ' ALA . 47.6 t -80.9 121.34 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.88 0.371 . . . . 75.03 110.941 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -69.0 -53.93 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 75.41 111.055 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -166.77 169.05 13.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.561 . . . . 71.54 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.614 HG21 ' CG1' ' B' ' 63' ' ' VAL . 24.0 t -131.15 139.35 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.993 -0.549 . . . . 72.14 111.107 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -135.18 122.49 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 71.41 111.18 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 109.21 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 73.22 110.812 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.485 HG12 ' N ' ' B' ' 76' ' ' THR . 97.9 t -86.13 158.07 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 70.32 111.212 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.485 ' N ' HG12 ' B' ' 75' ' ' VAL . 7.9 m 57.96 33.45 23.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 70.41 111.053 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -99.11 87.55 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 64.34 110.886 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 58.85 173.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.03 111.09 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.215 -0.898 . . . . 72.31 111.069 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 1' ' ' LEU . 1.5 mp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.855 0.36 . . . . 75.31 111.142 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.32 149.13 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.2 111.174 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -113.71 168.46 9.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.862 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.77 131.9 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.992 0.425 . . . . 71.33 111.455 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.66 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -100.01 143.93 29.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.931 -0.577 . . . . 71.15 110.29 179.524 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 15.4 t -141.19 112.71 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.869 0.366 . . . . 64.13 111.342 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -94.19 134.76 36.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 72.24 110.395 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.46 169.06 24.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.368 . . . . 73.52 111.464 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 14' ' ' LEU . 13.0 tp -53.88 153.85 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 53.54 111.167 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.549 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 1.4 m-20 -66.49 87.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.14 111.2 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.46 139.76 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.654 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' HB2' HD12 ' B' ' 29' ' ' ILE . 0.3 OUTLIER -74.43 -35.0 63.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 72.33 110.918 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -61.71 -27.54 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 71.35 111.324 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 18' ' ' VAL . 13.8 mt -60.23 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 72.12 111.013 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' B' ' 32' ' ' ALA . 0.7 OUTLIER -61.72 -32.36 72.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.512 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 10.2 t -70.25 -43.67 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 64.41 110.41 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.34 -41.1 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 74.11 110.466 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 14' ' ' LEU . 38.0 t -66.44 -44.53 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 63.45 110.665 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 m -63.22 -35.8 81.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 72.25 110.496 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 73.3 110.72 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.17 89.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.997 -0.547 . . . . 74.43 110.894 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.756 HD23 HD22 ' A' ' 59' ' ' LEU . 79.9 mt -67.22 -50.93 58.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 75.54 110.729 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.34 70.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.24 -29.63 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.46 22.81 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.025 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 60.58 40.42 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 53.02 111.043 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' LEU . 22.7 t -95.25 102.7 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 63.02 111.108 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -73.71 119.92 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 63.02 110.959 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.33 130.07 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.12 111.114 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 1' ' ' LEU . 40.0 mt -77.15 -35.66 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.863 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -170.94 170.42 6.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.97 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 46' ' ' PHE . . . -168.06 155.04 7.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 42.04 111.132 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -163.63 146.48 9.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.53 111.043 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.739 HG12 ' CB ' ' A' ' 44' ' ' SER . 14.1 m -131.01 142.19 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.135 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -136.55 140.06 42.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.092 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.8 m -68.64 117.78 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.963 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -67.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 63.51 110.858 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.81 -95.35 1.56 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.817 -0.706 . . . . 40.34 112.315 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -118.15 -69.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 74.35 110.724 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.559 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -98.95 34.64 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.559 179.49 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.46 125.88 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 74.23 111.124 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -123.65 124.96 43.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.01 111.234 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.8 mt -89.86 143.2 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.136 -0.484 . . . . 70.43 110.79 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.739 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.1 m -130.41 153.59 48.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 73.14 111.187 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -143.92 149.76 37.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.92 -0.582 . . . . 43.44 110.551 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CD2' ' HB1' ' A' ' 32' ' ' ALA . 11.4 m-85 -149.22 125.49 10.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 64.33 111.217 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -104.16 123.25 46.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.968 -0.56 . . . . 74.21 110.623 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -150.92 135.7 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 74.22 111.096 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -88.81 125.8 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.2 mmt -149.87 165.72 31.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.322 -0.399 . . . . 73.44 111.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.47 -39.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.475 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.44 110.84 7.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.6 0.238 . . . . 72.15 110.916 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.2 -24.17 32.54 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.324 2.016 . . . . 73.44 112.453 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 72.32 111.092 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -77.26 -42.23 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.635 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 6.2 tt -73.64 -32.37 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 75.0 110.1 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.71 -45.1 36.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.794 -0.717 . . . . 74.1 111.645 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.11 -34.37 68.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.836 0.35 . . . . 71.33 110.497 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.2 mt -62.12 -44.36 96.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 71.53 110.667 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.38 81.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 71.12 110.774 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.68 -40.16 93.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 75.44 110.594 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.85 94.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 71.12 110.682 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 59' ' ' LEU . 24.2 t -56.13 -34.16 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 74.43 111.262 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 71.05 110.733 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -78.43 -4.24 47.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.364 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.2 t -77.64 104.15 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-O 120.846 0.355 . . . . 74.54 110.855 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.68 120.98 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.503 . . . . 74.1 110.747 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 72.24 112.623 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.5 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 59.7 t -84.37 125.52 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.843 0.354 . . . . 72.24 111.095 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.99 -55.64 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.256 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -166.72 169.18 13.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.335 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 5' ' ' GLN . 39.9 t -126.68 138.1 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.802 -0.636 . . . . 73.25 111.199 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.42 120.39 18.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.423 -0.353 . . . . 63.23 111.168 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -61.67 111.62 1.92 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 75.24 110.889 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.2 t -85.99 158.71 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.24 -0.436 . . . . 75.21 111.232 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.482 ' N ' HG12 ' A' ' 75' ' ' VAL . 17.7 p -147.93 -47.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.888 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.5 p -163.37 120.51 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.95 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.72 133.49 33.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 51.12 111.092 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.181 -0.914 . . . . 63.12 111.107 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.834 0.35 . . . . 74.32 111.143 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.1 t -82.23 149.12 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.202 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -116.76 168.52 10.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.131 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' B' ' 48' ' ' PHE . 24.6 mt -140.41 132.12 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.262 -0.426 . . . . 75.25 111.382 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.439 ' HB2' HG23 ' B' ' 75' ' ' VAL . 1.9 tt0 -109.36 105.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.439 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -102.62 112.84 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.207 -0.451 . . . . 54.42 111.555 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' B' ' 43' ' ' ILE . 3.4 tt0 -96.85 134.81 39.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.405 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -159.37 162.18 35.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 75.53 111.383 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.582 ' O ' HD23 ' B' ' 14' ' ' LEU . 3.2 pp -57.24 140.04 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 73.32 110.856 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' B' ' 42' ' ' ALA . 25.3 t0 -60.08 107.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.104 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 164.49 30.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.53 110.776 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -90.5 -48.9 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.15 111.025 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.06 -23.11 58.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.14 111.018 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' B' ' 8' ' ' ALA . 10.3 tp -54.08 -42.23 69.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 70.11 111.075 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.632 HD22 HG11 ' B' ' 34' ' ' VAL . 42.0 tp -57.27 -50.44 72.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 73.21 110.501 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 64.3 m -60.29 -36.84 78.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 63.11 110.188 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.93 -45.23 95.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.536 . . . . 73.14 110.415 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 14' ' ' LEU . 54.4 t -63.1 -50.89 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 75.1 110.687 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -34.32 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.89 -0.596 . . . . 41.42 110.305 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 0.0 OUTLIER -70.2 -45.73 66.01 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.616 179.714 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.31 -41.98 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.242 0.544 . . . . 70.35 110.31 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.601 HD22 ' CD1' ' B' ' 59' ' ' LEU . 13.6 mt -83.56 -27.96 28.91 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.489 -0.778 . . . . 75.11 110.181 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' B' ' 20' ' ' ARG . . . -59.61 -34.17 72.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.921 -0.581 . . . . 75.2 110.859 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -50.08 -27.42 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 74.53 110.853 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.19 -17.24 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.129 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt 71.44 43.01 0.64 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.937 0.398 . . . . 75.5 110.966 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.35 103.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 53.34 110.69 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.73 107.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 74.34 110.534 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' B' ' 46' ' ' PHE . 2.6 mt -94.71 135.47 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.734 -0.667 . . . . 75.34 110.509 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 47' ' ' THR . 12.4 mt -74.48 -20.8 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 74.53 110.303 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.7 OUTLIER -154.77 134.05 12.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.113 -0.494 . . . . 64.02 110.631 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.496 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -135.88 121.64 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 74.31 110.34 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -157.96 140.89 14.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.007 0.432 . . . . 63.14 111.779 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.632 HG11 HD22 ' B' ' 15' ' ' LEU . 9.4 p -131.19 129.31 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.925 -0.579 . . . . 72.43 111.122 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 34.6 p -136.57 153.74 50.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.055 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -59.8 137.92 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.42 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -61.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.915 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.76 -91.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.421 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.49 ' O ' HG23 ' B' ' 41' ' ' VAL . 0.4 OUTLIER -112.11 105.78 14.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 74.2 110.892 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 60.82 39.61 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.5 t -137.19 154.59 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.108 -0.496 . . . . 72.23 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' B' ' 10' ' ' ASP . . . -139.08 138.15 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 44.34 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.469 HD12 ' OE2' ' B' ' 7' ' ' GLU . 3.5 tt -130.01 127.98 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 62.24 111.266 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 2.4 m -97.9 158.25 15.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 61.43 110.595 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 118.43 12.13 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.267 -0.424 . . . . 75.41 110.367 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.606 ' HB3' HG21 ' B' ' 29' ' ' ILE . 59.1 m-85 -123.4 125.3 44.71 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.143 -0.48 . . . . 74.55 111.283 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.447 ' O ' ' N ' ' B' ' 30' ' ' LEU . 45.0 m -114.39 115.16 26.88 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.831 -0.622 . . . . 74.41 109.963 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' B' ' 4' ' ' ILE . 2.8 p90 -140.4 171.6 13.91 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.272 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.23 165.82 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 73.22 110.608 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.4 ptp -108.96 151.06 26.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.971 0.415 . . . . 70.1 111.296 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.75 -51.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.926 -0.654 . . . . 74.52 112.297 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.47 99.56 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.584 0.23 . . . . 63.05 110.795 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.43 -42.81 40.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.455 2.103 . . . . 52.15 112.591 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -62.74 -37.89 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.623 ' O ' HD23 ' B' ' 59' ' ' LEU . 0.5 OUTLIER -77.56 -41.84 37.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.553 . . . . 74.11 110.555 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 -33.01 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 53.33 110.125 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.69 -41.69 23.42 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.796 -0.716 . . . . 72.44 111.79 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -75.1 -24.31 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.647 0.261 . . . . 73.3 110.983 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.791 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.5 OUTLIER -58.84 -50.91 72.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.021 0.439 . . . . 60.14 111.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.494 HD21 ' HD2' ' B' ' 74' ' ' ARG . 3.0 mp -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.595 . . . . 72.13 110.913 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.32 -38.53 89.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 52.41 110.718 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.01 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.079 -0.51 . . . . 62.43 110.814 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 59' ' ' LEU . 24.4 t -58.13 -31.83 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 53.41 110.989 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -62.51 -25.67 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.92 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.58 -12.09 60.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 73.03 111.377 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 63' ' ' VAL . 40.6 t -65.09 103.96 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-O 120.919 0.39 . . . . 74.32 110.495 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.06 115.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 70.54 110.808 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -16.05 30.08 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.695 -0.765 . . . . 74.01 112.579 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.592 HG12 ' O ' ' B' ' 66' ' ' VAL . 9.8 p -75.6 121.4 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.85 0.357 . . . . 75.03 111.145 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -71.09 -49.72 41.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 75.41 110.914 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.31 165.08 15.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.558 . . . . 71.54 111.077 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.58 HG21 ' HB ' ' B' ' 63' ' ' VAL . 33.1 t -131.51 132.35 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 116.07 -0.514 . . . . 72.14 110.809 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.26 128.98 32.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.82 0.343 . . . . 71.41 111.225 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.494 ' HD2' HD21 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -69.74 110.57 4.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.789 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.501 HG12 ' N ' ' B' ' 76' ' ' THR . 87.0 t -85.76 158.74 3.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 70.32 111.186 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.501 ' N ' HG12 ' B' ' 75' ' ' VAL . 6.8 m 62.63 85.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 70.41 110.962 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.8 m -165.88 103.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 64.34 110.835 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.05 105.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.121 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.23 -0.891 . . . . 72.31 111.149 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.877 0.37 . . . . 75.31 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.526 HG23 ' CE ' ' A' ' 50' ' ' MET . 22.0 t -82.21 144.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.2 111.136 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -108.5 167.43 10.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.997 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.688 HD11 ' CE1' ' A' ' 48' ' ' PHE . 27.5 mt -141.92 133.15 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-O 120.899 0.38 . . . . 71.33 111.434 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.517 ' HG3' HG21 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -105.55 104.87 14.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 110.723 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.515 HG13 HG22 ' A' ' 72' ' ' VAL . 21.8 t -103.87 112.7 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.321 -0.4 . . . . 64.13 111.268 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.553 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.4 tt0 -90.63 133.8 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.788 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.681 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.35 166.86 30.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 73.52 111.27 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.9 mt -52.09 149.62 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 53.54 111.017 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.91 76.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.023 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.54 130.15 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.848 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.882 ' ND1' HD12 ' B' ' 29' ' ' ILE . 32.6 t60 -59.03 -21.33 58.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -57.96 -38.64 76.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.86 0.362 . . . . 71.35 110.885 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.0 mm? -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 72.12 110.767 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.8 mm? -59.75 -48.46 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.809 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -60.9 -41.22 95.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.91 -0.586 . . . . 64.41 110.585 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.69 -41.67 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.533 . . . . 74.11 110.569 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 14' ' ' LEU . 37.6 t -66.74 -39.93 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 63.45 110.833 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -65.69 -36.91 85.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 72.25 110.612 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 73.3 110.714 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.39 98.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 74.43 110.943 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.699 HD13 HG12 ' A' ' 29' ' ' ILE . 24.4 mt -65.26 -49.28 70.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 75.54 110.817 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.43 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.508 . . . . 73.12 111.122 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -58.41 -31.1 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 72.31 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -108.94 25.86 11.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 72.53 111.088 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 30.48 15.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.375 . . . . 53.02 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 22' ' ' LEU . 31.0 t -75.86 125.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.065 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -94.09 115.77 28.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 63.02 110.926 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 22' ' ' LEU . 4.0 mp -96.3 129.59 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.134 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD11 ' HG3' ' A' ' 49' ' ' GLU . 58.4 mt -75.15 -32.05 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 72.1 110.971 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.891 ' OG ' HG23 ' B' ' 35' ' ' THR . 4.8 m -173.18 171.52 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.927 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 45' ' ' ARG . . . -163.94 146.03 9.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 42.04 111.147 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -163.58 129.91 3.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.304 -0.407 . . . . 71.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.8 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.2 p -121.28 141.46 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.276 -0.42 . . . . 74.4 111.461 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 p -136.49 154.12 50.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.891 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 121.07 8.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 71.24 111.015 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -66.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.51 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.26 -113.07 0.78 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 40.34 112.533 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -95.36 103.72 15.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 74.35 110.935 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 64.25 38.32 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 74.31 110.859 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.0 t -137.38 147.4 26.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.142 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.24 120.51 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.8 ' C ' HG23 ' A' ' 34' ' ' VAL . 3.1 tp -97.91 120.25 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.43 111.195 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.537 ' N ' HG23 ' A' ' 34' ' ' VAL . 4.2 p -98.77 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.056 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ALA . 18.3 mtt180 -116.13 117.12 29.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.066 -0.515 . . . . 43.44 110.519 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -112.4 129.43 56.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.325 -0.398 . . . . 64.33 111.346 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -107.9 124.0 49.46 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.984 -0.553 . . . . 74.21 110.608 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CE1' HD11 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.78 171.13 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.149 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.705 ' HG3' HD11 ' A' ' 30' ' ' LEU . 18.4 mt-10 -88.54 165.74 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 64.54 110.842 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.526 ' CE ' HG23 ' A' ' 2' ' ' VAL . 7.6 ptp -109.03 144.52 36.93 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.44 111.103 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.6 -76.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.422 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.34 141.6 23.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.652 0.263 . . . . 72.15 110.823 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.9 -33.35 3.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.497 2.131 . . . . 73.44 112.417 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.525 . . . . 72.32 110.945 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.49 -44.39 28.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 71.35 110.657 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 60' ' ' LEU . 8.3 mp -68.67 -33.88 74.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.062 0.458 . . . . 75.0 110.041 179.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.8 -40.0 37.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.678 -0.772 . . . . 74.1 111.658 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -32.62 70.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.744 0.307 . . . . 71.33 110.793 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.882 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -62.59 -47.16 85.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.02 0.438 . . . . 71.53 110.924 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 56' ' ' LEU . 8.2 mp -58.45 -48.35 81.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 71.12 110.837 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.44 -39.72 91.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.699 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.78 98.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 71.12 110.699 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -56.68 -32.62 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.892 -0.595 . . . . 74.43 111.094 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -60.7 -29.03 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 71.05 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.07 -2.94 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.436 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.0 t -76.4 104.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 120.852 0.358 . . . . 74.54 110.697 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.49 120.65 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 74.1 110.76 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.24 -24.02 19.34 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.728 -0.748 . . . . 72.24 112.606 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 8' ' ' ALA . 52.1 t -83.02 127.36 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.819 0.342 . . . . 72.24 111.089 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -61.18 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 63.24 111.319 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.74 169.16 24.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.076 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.515 HG22 HG13 ' A' ' 6' ' ' VAL . 22.0 t -130.37 135.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.351 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 134.91 40.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.863 0.363 . . . . 63.23 111.264 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -67.17 113.86 5.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.833 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 11.6 t -87.53 160.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.261 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 75' ' ' VAL . 1.7 p -147.17 57.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.887 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -75.55 132.5 40.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.922 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 58.9 106.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 51.12 111.116 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.289 -0.862 . . . . 63.12 111.11 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.695 HD11 HD13 ' B' ' 30' ' ' LEU . 1.5 tp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.783 0.325 . . . . 74.32 111.17 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t -128.04 137.67 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 116.194 -0.457 . . . . 71.32 111.256 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -105.37 165.2 11.29 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.163 -0.472 . . . . 72.13 111.062 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.411 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 32.9 mt -144.47 134.91 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.333 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.54 115.72 30.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.093 -0.503 . . . . 65.12 110.743 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -106.96 112.83 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.343 -0.39 . . . . 54.42 111.471 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.605 ' O ' HG13 ' B' ' 69' ' ' VAL . 7.6 tt0 -92.26 136.93 32.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.766 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -159.37 162.55 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 75.53 111.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.766 HD11 ' CG ' ' B' ' 40' ' ' ARG . 0.3 OUTLIER -58.52 127.23 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 73.32 111.0 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.643 ' N ' HD13 ' B' ' 9' ' ' LEU . 24.6 t0 -64.47 89.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.03 110.861 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.575 ' HG3' HD12 ' B' ' 9' ' ' LEU . 46.2 mtp180 -128.14 167.66 16.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.958 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -91.12 55.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.839 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -176.6 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.648 ' O ' HG23 ' B' ' 18' ' ' VAL . 7.6 mt -54.03 -36.3 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 70.11 110.855 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.744 HD23 HG21 ' B' ' 34' ' ' VAL . 3.2 mt -59.57 -54.92 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.527 . . . . 73.21 110.361 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -32.49 70.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 63.11 110.136 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.14 -45.13 93.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 73.14 110.284 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 14' ' ' LEU . 32.3 t -65.9 -42.56 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 75.1 110.487 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.729 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.6 -39.95 80.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 41.42 110.159 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -37.86 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.876 -0.602 . . . . 75.32 110.75 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.99 83.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.733 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.441 HD13 HD11 ' B' ' 29' ' ' ILE . 58.5 mt -71.96 -33.94 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 75.11 110.511 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -24.21 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 75.2 111.175 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.44 -38.86 60.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 74.53 110.96 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -102.97 21.88 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 73.12 110.885 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.4 27.56 8.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 75.5 111.157 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.4 90.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 53.34 110.409 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -63.89 100.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 74.34 111.103 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.882 HD12 ' ND1' ' A' ' 12' ' ' HIS . 6.2 mt -89.05 137.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.01 -0.541 . . . . 75.34 110.077 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.695 HD13 HD11 ' B' ' 1' ' ' LEU . 15.9 mt -74.52 -23.31 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 74.53 111.045 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.449 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.3 OUTLIER -150.83 139.61 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.383 -0.371 . . . . 64.02 111.043 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.514 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -137.07 127.54 26.7 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.008 -0.542 . . . . 74.31 110.327 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 45' ' ' ARG . 83.7 p -160.65 133.8 6.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 63.14 111.725 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.744 HG21 HD23 ' B' ' 15' ' ' LEU . 11.5 p -131.18 131.02 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.994 -0.548 . . . . 72.43 111.11 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.891 HG23 ' OG ' ' A' ' 31' ' ' SER . 9.3 m -136.54 143.27 43.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.995 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 36' ' ' THR . 10.2 t -66.83 117.33 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.784 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.434 ' HB3' HD12 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -58.58 -52.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 74.14 110.942 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.773 ' H ' HG23 ' B' ' 41' ' ' VAL . . . 154.6 100.24 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.471 -0.871 . . . . 71.54 113.206 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . 0.821 ' O ' HG22 ' B' ' 41' ' ' VAL . 2.9 t0 81.26 98.0 0.05 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.01 0.434 . . . . 74.2 111.938 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ARG . . . . . 0.766 ' CG ' HD11 ' B' ' 9' ' ' LEU . 4.0 ttp180 41.43 33.52 0.29 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.673 -0.694 . . . . 65.54 112.213 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.821 HG22 ' O ' ' B' ' 39' ' ' ASP . 1.2 m -137.75 126.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.253 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.25 50.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 44.34 111.317 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' B' ' 37' ' ' SER . 24.4 mt -130.04 126.35 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.023 -0.535 . . . . 62.24 111.059 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.9 OUTLIER -99.58 160.23 14.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 61.43 110.759 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 33' ' ' SER . 1.0 OUTLIER -141.05 127.95 20.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.323 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' B' ' 29' ' ' ILE . 82.5 m-85 -132.21 125.33 30.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.012 0.434 . . . . 74.55 111.754 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 30' ' ' LEU . 40.3 m -110.87 115.24 29.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.87 -0.605 . . . . 74.41 109.745 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.459 ' HB3' HG23 ' B' ' 29' ' ' ILE . 3.3 p90 -136.28 171.53 14.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.057 0.456 . . . . 75.24 111.327 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.43 ' HG3' HD11 ' B' ' 30' ' ' LEU . 3.0 mt-10 -88.14 165.75 14.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.894 -0.594 . . . . 73.22 110.738 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.4 ptm -108.87 144.31 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.315 -0.402 . . . . 70.1 111.4 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.28 -68.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.999 -0.62 . . . . 74.52 112.172 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.41 128.88 25.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.531 0.205 . . . . 63.05 110.509 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.41 -19.91 16.56 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.479 2.119 . . . . 52.15 112.787 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -43.98 87.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.793 0.33 . . . . 73.14 111.246 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' B' ' 56' ' ' LEU . 7.9 p80 -77.78 -37.98 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.733 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' N ' ' ND1' ' B' ' 55' ' ' HIS . 0.3 OUTLIER -73.02 -33.44 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 53.33 110.236 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.03 25.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.721 -0.752 . . . . 72.44 111.833 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -78.63 -26.16 45.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.685 0.279 . . . . 73.3 110.915 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.832 ' O ' HG23 ' B' ' 63' ' ' VAL . 6.6 mt -61.79 -46.66 88.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.864 0.364 . . . . 60.14 110.895 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.38 -51.19 70.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 72.13 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -61.08 -34.5 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 52.41 110.664 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.34 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 62.43 110.869 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.832 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.8 t -56.91 -32.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 53.41 111.117 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -61.26 -28.38 69.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.831 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -81.11 0.78 34.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.638 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.9 t -81.31 104.14 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 120.891 0.377 . . . . 74.32 110.652 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.545 ' O ' HD21 ' B' ' 14' ' ' LEU . 2.4 pt-20 -53.64 119.97 5.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.01 -0.541 . . . . 70.54 110.985 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.24 -24.07 19.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.751 . . . . 74.01 112.774 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.605 HG13 ' O ' ' B' ' 7' ' ' GLU . 61.6 t -79.13 123.13 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 75.03 110.876 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -68.72 -59.58 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 75.41 111.087 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -166.7 169.13 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 71.54 111.179 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.431 HG21 HG11 ' B' ' 63' ' ' VAL . 20.7 t -125.48 136.87 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.046 -0.525 . . . . 72.14 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.37 129.02 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 71.41 111.079 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -66.0 114.22 5.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.826 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.879 HG12 HG23 ' B' ' 76' ' ' THR . 92.4 t -86.0 158.8 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.242 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.879 HG23 HG12 ' B' ' 75' ' ' VAL . 82.2 p 51.84 88.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.861 -0.609 . . . . 70.41 111.245 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.1 m -147.15 32.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 64.34 110.834 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.1 175.63 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 72.03 111.217 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.236 -0.888 . . . . 72.31 111.073 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.857 0.36 . . . . 75.31 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.06 149.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.2 111.22 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.481 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -111.46 166.18 11.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.874 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.453 ' HB ' ' CZ ' ' A' ' 46' ' ' PHE . 36.1 mt -144.16 133.85 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.025 0.44 . . . . 71.33 111.533 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.3 tt0 -103.08 130.49 50.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.744 -0.662 . . . . 71.15 110.332 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 8.5 t -124.88 112.87 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.848 0.356 . . . . 64.13 111.417 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.564 ' O ' HG13 ' A' ' 69' ' ' VAL . 28.8 mt-10 -93.25 132.99 36.92 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.619 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.33 170.85 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.374 . . . . 73.52 111.329 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? -52.36 149.69 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 53.54 111.086 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.519 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 13.3 t70 -68.04 78.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.14 111.224 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.595 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -153.49 133.35 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.807 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.576 ' ND1' HD12 ' B' ' 29' ' ' ILE . 2.8 t60 -59.74 -29.08 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.473 -0.33 . . . . 72.33 110.707 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -57.66 -34.83 69.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 71.35 111.131 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.637 HD11 ' HA3' ' A' ' 68' ' ' GLY . 3.0 mm? -60.01 -51.96 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 72.12 110.969 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.743 ' CD1' HG11 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -59.19 -42.39 90.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.97 -0.559 . . . . 73.23 110.717 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -62.78 -40.48 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 64.41 110.519 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.62 -45.86 88.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.582 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 24.5 t -66.2 -36.09 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.99 -0.55 . . . . 63.45 110.625 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 22' ' ' LEU . 67.8 m -66.84 -38.85 87.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.045 -0.525 . . . . 72.25 110.571 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -60.13 -38.77 84.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.57 . . . . 73.3 110.72 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.11 89.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 74.43 110.96 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 19' ' ' THR . 17.4 mt -63.79 -50.97 66.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 75.54 110.773 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.92 69.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.12 111.079 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.16 -30.63 66.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.54 21.88 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.145 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.61 39.65 27.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 53.02 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.8 t -90.08 127.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.02 111.085 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -90.15 115.41 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 63.02 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.38 120.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.082 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.587 HD12 ' CA ' ' A' ' 48' ' ' PHE . 6.2 mt -75.17 -35.62 61.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 72.1 111.009 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -163.23 163.05 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.51 111.07 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' B' ' 34' ' ' VAL . . . -161.28 140.41 10.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.22 -0.446 . . . . 42.04 111.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -163.66 138.53 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 71.53 110.679 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 44' ' ' SER . 13.5 m -130.95 145.52 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.394 -0.366 . . . . 74.4 111.527 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.9 p -136.56 149.18 47.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.055 -0.521 . . . . 73.22 110.87 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 m -77.26 112.88 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.24 111.039 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.46 ' HB2' HD11 ' A' ' 43' ' ' ILE . 8.7 t -63.99 -58.09 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 63.51 110.758 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.697 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -126.92 -91.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 40.34 112.399 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -73.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 74.35 110.92 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.715 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -97.64 33.54 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 74.31 110.546 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.697 HG23 ' H ' ' A' ' 38' ' ' GLY . 3.1 m -137.52 118.52 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.718 -0.673 . . . . 74.23 111.3 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -117.93 125.44 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 74.01 111.223 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 37' ' ' SER . 18.5 mt -89.9 135.46 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 70.43 110.89 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.799 ' HA ' HG12 ' A' ' 34' ' ' VAL . 1.9 m -114.26 148.14 37.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 73.14 111.32 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.0 117.26 9.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 43.44 110.408 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 4' ' ' ILE . 23.7 p90 -138.1 132.66 32.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.031 0.443 . . . . 64.33 111.513 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 m -104.45 138.65 40.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 74.21 110.51 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.587 ' CA ' HD12 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -150.87 166.5 30.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.293 -0.412 . . . . 74.22 111.053 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 30' ' ' LEU . 1.1 mm-40 -88.67 165.69 14.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 64.54 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.09 154.87 21.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.278 -0.419 . . . . 73.44 111.048 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.36 -80.99 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.815 -0.707 . . . . 74.22 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -98.63 139.25 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.602 0.239 . . . . 72.15 110.819 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.37 -32.56 7.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.461 2.107 . . . . 73.44 112.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -65.09 -35.16 80.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 72.32 110.866 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -77.47 -43.93 30.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.35 110.611 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.71 -31.61 66.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 75.0 110.073 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.42 -44.4 27.64 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.695 -0.765 . . . . 74.1 111.837 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -74.13 -30.76 62.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 71.33 110.708 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.879 ' O ' HG23 ' A' ' 63' ' ' VAL . 57.3 tp -63.82 -46.95 82.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 71.53 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.12 -50.07 74.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.766 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -61.55 -38.41 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.559 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.33 94.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.901 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.8 t -57.95 -33.68 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 74.43 110.997 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -61.52 -25.13 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 71.05 110.913 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -90.49 12.27 19.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.44 -0.346 . . . . 74.2 111.765 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 63' ' ' VAL . 26.7 t -83.36 104.26 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.915 0.388 . . . . 74.54 110.7 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.65 120.35 6.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 74.1 110.692 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.637 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.26 -22.98 21.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 72.24 112.735 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 7' ' ' GLU . 41.3 t -83.98 131.89 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 120.852 0.358 . . . . 72.24 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -50.91 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 63.24 111.297 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -166.78 169.12 13.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.146 -0.479 . . . . 73.2 111.232 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.623 HG21 HG11 ' A' ' 63' ' ' VAL . 23.5 t -131.41 138.18 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.066 -0.515 . . . . 73.25 111.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -135.47 124.85 24.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.305 -0.407 . . . . 63.23 111.318 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.34 113.35 4.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 75.24 110.886 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 76' ' ' THR . 94.2 t -85.91 158.69 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.21 111.182 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.487 ' N ' HG12 ' A' ' 75' ' ' VAL . 1.7 m 65.63 75.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 75.33 110.978 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 t -163.34 74.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.895 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.3 93.39 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 51.12 111.055 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.269 -0.872 . . . . 63.12 111.136 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.803 0.335 . . . . 74.32 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.405 HG11 ' NE ' ' B' ' 74' ' ' ARG . 21.9 t -128.08 145.89 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.208 -0.451 . . . . 71.32 111.189 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -111.84 168.06 9.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.063 -0.517 . . . . 72.13 111.013 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 mt -142.91 132.0 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.308 -0.405 . . . . 75.25 111.275 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.693 ' O ' HG13 ' B' ' 72' ' ' VAL . 2.3 mt-30 -103.85 143.58 32.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.976 -0.556 . . . . 65.12 110.675 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.13 112.83 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.322 -0.399 . . . . 54.42 111.406 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.596 ' O ' HG13 ' B' ' 69' ' ' VAL . 21.4 mt-10 -91.92 140.06 30.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.882 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.48 158.28 31.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.107 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.712 ' O ' HD12 ' B' ' 14' ' ' LEU . 41.2 mt -57.85 134.52 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.15 107.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.038 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -153.38 169.61 22.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.53 110.922 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -101.28 31.25 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.885 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -141.99 -45.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.028 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.712 HD12 ' O ' ' B' ' 9' ' ' LEU . 34.2 mt -56.0 -36.75 68.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 70.11 110.926 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.801 HD11 HG11 ' B' ' 34' ' ' VAL . 0.8 OUTLIER -60.62 -56.78 17.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 73.21 110.294 179.711 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -30.75 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.785 -0.643 . . . . 63.11 110.293 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.56 -46.07 84.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.271 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 14' ' ' LEU . 39.1 t -65.54 -42.53 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.358 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.554 HG22 ' HE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.44 -40.57 81.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 41.42 110.159 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -68.02 -38.58 82.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 75.32 110.755 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -44.05 85.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 70.35 110.71 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.35 -36.41 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.663 . . . . 75.11 110.483 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.8 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 75.2 111.084 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.66 -32.23 50.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.927 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.57 17.33 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 73.12 111.088 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mttt 53.29 30.3 9.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 75.5 111.176 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.65 92.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 53.34 110.637 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.12 106.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 74.34 111.041 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' B' ' 46' ' ' PHE . 4.8 mt -92.54 136.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 75.34 110.349 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 38.5 mt -74.69 -21.63 59.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.53 110.634 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.509 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -158.95 131.35 6.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.24 -0.436 . . . . 64.02 110.822 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.49 130.19 47.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.002 -0.544 . . . . 74.31 110.386 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.412 ' O ' ' N ' ' B' ' 45' ' ' ARG . 52.2 p -160.65 140.55 11.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 120.746 -0.382 . . . . 63.14 111.677 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.801 HG11 HD11 ' B' ' 15' ' ' LEU . 12.0 p -131.15 131.94 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.073 -0.512 . . . . 72.43 111.18 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -136.61 151.57 49.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.946 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.4 p -82.6 139.48 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.736 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -85.32 -30.28 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.915 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.72 -82.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.43 -69.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 74.2 110.777 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.94 35.79 1.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 65.54 110.589 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.29 121.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 72.23 111.296 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.22 145.25 36.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 44.34 110.937 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.736 HD11 ' OG ' ' B' ' 37' ' ' SER . 26.3 mt -130.13 116.16 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.233 -0.439 . . . . 62.24 111.284 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -98.08 152.85 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.672 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.0 OUTLIER -143.75 118.64 9.95 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.406 -0.361 . . . . 75.41 110.463 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.644 ' HB3' HG21 ' B' ' 29' ' ' ILE . 72.6 m-85 -123.02 125.23 44.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.25 -0.432 . . . . 74.55 111.478 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' B' ' 30' ' ' LEU . 35.4 m -109.9 115.34 29.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.714 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.477 ' HB3' HG23 ' B' ' 29' ' ' ILE . 1.1 p90 -144.88 171.54 14.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.063 0.458 . . . . 75.24 111.394 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.2 153.4 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 73.22 110.651 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -108.96 139.1 44.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.923 0.392 . . . . 70.1 111.33 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 -56.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.303 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -106.33 134.53 19.74 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.564 0.221 . . . . 63.05 110.809 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.31 -29.22 6.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.473 2.115 . . . . 52.15 112.497 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -66.32 -36.34 82.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 73.14 111.071 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.42 -44.48 28.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 74.11 110.734 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -31.63 65.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 53.33 110.267 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.79 25.87 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.749 -0.738 . . . . 72.44 112.004 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 16.5 m80 -77.49 -27.63 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.75 0.309 . . . . 73.3 110.912 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.824 ' O ' HG23 ' B' ' 63' ' ' VAL . 10.7 mt -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 60.14 110.942 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.35 -51.52 69.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 72.13 110.749 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.86 -35.32 76.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 52.41 110.618 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.0 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 62.43 110.768 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.824 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.3 t -56.11 -32.56 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.861 -0.608 . . . . 53.41 111.085 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -60.58 -30.15 69.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 74.12 110.834 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.95 -0.02 37.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.558 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' B' ' 63' ' ' VAL . 23.8 t -80.42 104.25 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.969 0.414 . . . . 74.32 110.59 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 119.27 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 70.54 110.994 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.0 19.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 74.01 112.782 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.596 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.2 t -80.75 123.87 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.831 0.348 . . . . 75.03 111.019 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -61.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.968 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -166.74 169.1 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.912 -0.585 . . . . 71.54 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.693 HG13 ' O ' ' B' ' 5' ' ' GLN . 21.9 t -121.5 140.43 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.106 -0.497 . . . . 72.14 111.15 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.38 127.99 30.79 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.389 -0.369 . . . . 71.41 111.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.405 ' NE ' HG11 ' B' ' 2' ' ' VAL . 9.6 ttt180 -65.39 109.18 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.824 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.9 t -86.26 158.8 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.277 -0.419 . . . . 70.32 111.207 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.487 ' N ' HG12 ' B' ' 75' ' ' VAL . 0.8 OUTLIER -142.0 144.78 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 70.41 110.897 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.83 173.42 6.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.881 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.76 124.13 3.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.03 111.107 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.163 -0.923 . . . . 72.31 111.106 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.895 0.379 . . . . 75.31 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.623 HG13 ' NE ' ' A' ' 74' ' ' ARG . 30.9 t -82.28 138.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 64.2 111.218 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -103.57 156.1 18.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.993 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 27.1 mt -138.8 136.96 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.331 -0.395 . . . . 71.33 111.485 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -110.39 113.32 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.159 -0.473 . . . . 71.15 110.415 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 72' ' ' VAL . 21.6 t -109.42 112.8 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.867 0.365 . . . . 64.13 111.509 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.68 126.72 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 72.24 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.41 166.83 30.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.851 0.357 . . . . 73.52 111.388 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 40' ' ' ARG . 4.0 mm? -56.01 141.55 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 53.54 110.825 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.458 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 8.8 p-10 -62.24 82.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 71.14 111.147 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' ND2' ' B' ' 28' ' ' ASN . 6.4 mtt-85 -153.46 125.67 7.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.866 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.673 ' ND1' HD11 ' A' ' 15' ' ' LEU . 43.2 t60 -61.02 -19.4 61.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 72.33 110.888 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -35.96 82.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 71.35 110.62 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.74 HD13 ' HB1' ' A' ' 8' ' ' ALA . 72.1 mt -67.44 -58.54 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 72.12 110.873 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.689 HD12 ' N ' ' A' ' 16' ' ' SER . 4.6 pp -56.75 -33.75 66.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.04 -0.527 . . . . 73.23 110.525 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.689 ' N ' HD12 ' A' ' 15' ' ' LEU . 31.3 t -67.83 -47.46 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 64.41 110.528 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.464 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 14' ' ' LEU . 28.5 t -69.96 -37.98 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 63.45 110.698 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.724 ' HA ' HD12 ' A' ' 22' ' ' LEU . 57.7 m -65.86 -37.55 86.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 72.25 110.5 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -59.91 -40.43 88.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 73.3 110.534 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.2 84.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.804 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 19' ' ' THR . 26.0 mt -64.17 -52.82 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 75.54 110.682 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.56 81.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.933 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.44 -29.42 69.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.79 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -98.32 15.6 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.53 111.233 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.16 31.18 19.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.787 0.327 . . . . 53.02 111.008 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 25' ' ' GLU . 28.1 t -84.33 102.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 63.02 111.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -72.46 114.43 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.965 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -96.34 127.8 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.12 111.046 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -75.14 -33.75 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 72.1 111.016 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 p -173.16 171.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 72.51 110.807 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.51 152.59 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 42.04 111.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 m -163.63 139.0 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.911 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.726 HG12 ' CB ' ' A' ' 44' ' ' SER . 8.1 m -130.99 135.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.399 -0.364 . . . . 74.4 111.435 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 144.78 44.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.923 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -59.57 117.85 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.106 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.688 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.5 t -67.89 -42.14 81.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 63.51 110.955 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.584 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -177.23 -101.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 40.34 112.599 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 41' ' ' VAL . 7.8 p-10 -100.04 110.59 22.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 74.35 111.042 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.736 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER 53.36 35.48 20.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 74.31 111.107 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.584 HG23 ' H ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -137.42 139.22 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.031 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -133.22 122.93 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 74.01 111.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.688 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.4 mt -89.81 109.29 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.029 -0.532 . . . . 70.43 111.022 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.726 ' CB ' HG12 ' A' ' 34' ' ' VAL . 4.3 m -98.01 140.75 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.843 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -129.49 117.24 20.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.276 -0.42 . . . . 43.44 110.734 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -113.14 125.59 54.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.302 -0.408 . . . . 64.33 111.169 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.4 m -109.87 122.17 46.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.037 -0.529 . . . . 74.21 110.71 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.78 171.12 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 74.22 111.081 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 119.06 21.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.095 -0.502 . . . . 64.54 110.944 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 mmm -149.97 165.85 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.916 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.6 25.8 3.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 74.22 112.601 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.5 99.63 25.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.556 0.217 . . . . 72.15 110.899 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.08 -41.88 71.77 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.395 2.063 . . . . 73.44 112.387 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -33.15 75.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.998 -0.546 . . . . 72.32 110.931 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -77.42 -42.48 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 71.35 110.7 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -74.3 -32.63 62.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 75.0 110.128 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.56 -39.04 31.06 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 74.1 111.906 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -78.7 -30.5 46.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.713 0.292 . . . . 71.33 110.784 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.864 ' O ' HG23 ' A' ' 63' ' ' VAL . 7.9 tt -64.11 -48.15 77.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.933 0.397 . . . . 71.53 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -48.62 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.856 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.98 -39.92 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.603 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.35 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 71.12 110.751 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.8 t -56.97 -30.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 74.43 110.95 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -60.11 -30.42 69.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.05 110.787 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -78.99 -2.7 41.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.444 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.8 t -76.19 104.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.88 0.372 . . . . 74.54 110.791 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt0 -53.12 118.71 3.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.675 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.48 28.23 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.656 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 8' ' ' ALA . 60.0 t -88.28 128.21 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.24 111.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.32 -55.52 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 63.24 111.328 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -163.32 169.14 19.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 73.2 111.35 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG21 HG11 ' A' ' 63' ' ' VAL . 24.5 t -131.25 132.68 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.205 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 131.17 35.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.803 0.335 . . . . 63.23 111.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.623 ' NE ' HG13 ' A' ' 2' ' ' VAL . 33.3 ttt180 -68.17 121.33 15.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.759 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 76' ' ' THR . 18.1 t -85.9 138.12 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.346 -0.388 . . . . 75.21 111.264 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -170.08 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.832 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 p -73.01 93.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.885 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.8 92.88 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 51.12 111.11 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.254 -0.879 . . . . 63.12 111.045 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.855 0.359 . . . . 74.32 111.176 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.41 ' HA ' HG23 ' B' ' 76' ' ' THR . 19.3 t -82.24 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.308 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.659 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -124.69 171.15 10.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.135 -0.484 . . . . 72.13 110.927 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' B' ' 48' ' ' PHE . 21.7 mt -141.71 131.96 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.363 -0.381 . . . . 75.25 111.484 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.74 106.13 16.5 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.483 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.46 HG13 HG22 ' B' ' 72' ' ' VAL . 21.0 t -102.57 112.88 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.925 0.393 . . . . 54.42 111.625 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 69' ' ' VAL . 5.1 tt0 -95.84 134.71 38.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.073 -0.512 . . . . 75.13 110.693 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.669 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -159.39 162.36 35.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 75.53 111.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.615 ' O ' HD23 ' B' ' 14' ' ' LEU . 6.1 mt -58.87 136.87 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.949 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 10' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' B' ' 41' ' ' VAL . 13.9 t70 -61.15 86.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.881 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.03 149.1 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 62.53 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -71.23 -42.38 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -32.86 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.886 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.669 HD21 ' HB1' ' B' ' 8' ' ' ALA . 10.2 tp -57.55 -46.65 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 70.11 110.826 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.727 HD13 HG21 ' B' ' 34' ' ' VAL . 33.6 tp -57.69 -47.22 82.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 73.21 110.516 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.7 m -63.03 -32.7 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.791 -0.64 . . . . 63.11 110.342 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -46.42 80.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.555 . . . . 73.14 110.437 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 14' ' ' LEU . 40.6 t -63.31 -46.95 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.496 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.649 HG23 ' CE1' ' A' ' 12' ' ' HIS . 21.7 m -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.775 -0.648 . . . . 41.42 110.095 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -39.53 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 75.32 110.688 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.98 -44.56 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 70.35 110.599 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.604 HD23 HD11 ' B' ' 59' ' ' LEU . 1.8 mt -74.02 -35.87 64.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.674 . . . . 75.11 110.392 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -28.73 69.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 75.2 111.065 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.11 -30.67 49.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.968 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.61 16.8 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.253 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt 54.76 33.36 19.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.419 -0.355 . . . . 75.5 111.103 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 22' ' ' LEU . 61.1 t -59.52 89.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 53.34 110.551 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ASN . . . . . 0.406 ' ND2' ' NH1' ' A' ' 11' ' ' ARG . 13.2 t-20 -63.88 107.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.02 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.629 HG21 ' HB3' ' B' ' 46' ' ' PHE . 3.4 mt -96.24 135.32 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.882 -0.599 . . . . 75.34 110.264 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.5 mt -74.56 -21.27 59.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 74.53 110.45 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.446 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -156.19 131.3 9.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.554 179.22 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.537 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -131.21 128.79 40.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.09 -0.505 . . . . 74.31 110.606 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.7 p -161.09 140.62 10.55 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.969 0.414 . . . . 63.14 111.671 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.727 HG21 HD13 ' B' ' 15' ' ' LEU . 9.8 p -131.1 135.02 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.995 -0.548 . . . . 72.43 111.018 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 t -136.64 153.97 50.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.043 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.65 121.51 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.821 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -28.02 54.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.064 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.805 ' N ' HG23 ' B' ' 41' ' ' VAL . . . 167.44 -125.88 1.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.621 -0.8 . . . . 71.54 112.535 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.1 108.42 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 74.2 110.919 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 56.19 37.88 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 65.54 111.048 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.805 HG23 ' N ' ' B' ' 38' ' ' GLY . 1.4 m -137.34 142.69 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.006 -0.543 . . . . 72.23 111.161 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.05 126.63 28.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 44.34 111.047 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.407 HG23 ' O ' ' B' ' 43' ' ' ILE . 2.8 tt -112.14 126.49 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 156.96 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 61.43 110.666 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -138.15 117.91 13.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.315 -0.402 . . . . 75.41 110.461 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.629 ' HB3' HG21 ' B' ' 29' ' ' ILE . 61.8 m-85 -122.54 125.18 45.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.236 -0.438 . . . . 74.55 111.347 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 30' ' ' LEU . 30.4 m -112.85 115.39 28.39 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.845 -0.616 . . . . 74.41 109.761 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.717 ' CZ ' HD11 ' B' ' 56' ' ' LEU . 1.0 OUTLIER -145.11 171.15 14.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.997 0.427 . . . . 75.24 111.635 -179.23 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -88.57 164.31 15.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.836 -0.62 . . . . 73.22 110.872 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.7 ttp -109.13 162.14 14.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.349 -0.387 . . . . 70.1 111.178 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.15 -70.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.815 -0.707 . . . . 74.52 112.376 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.01 100.82 30.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.613 0.244 . . . . 63.05 110.696 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.29 -25.3 9.66 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.613 2.209 . . . . 52.15 112.69 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -44.35 96.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 73.14 111.066 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' HIS . . . . . 0.529 ' NE2' HD12 ' B' ' 56' ' ' LEU . 2.3 p-80 -77.63 -40.7 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.46 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.717 HD11 ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -64.46 -39.79 94.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 53.33 109.869 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -41.45 58.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.716 -0.754 . . . . 72.44 111.465 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -33.34 73.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.293 . . . . 73.3 110.845 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.877 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.3 OUTLIER -63.91 -47.99 78.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.385 . . . . 60.14 110.958 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.41 -50.17 74.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 72.13 110.856 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.92 -36.81 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 52.41 110.645 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 62.43 110.833 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.877 HG23 ' O ' ' B' ' 59' ' ' LEU . 16.7 t -57.27 -32.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 53.41 111.065 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -60.72 -27.95 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.806 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -83.54 3.47 32.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.624 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.9 t -81.5 104.21 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 120.932 0.396 . . . . 74.32 110.727 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.94 120.11 5.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.987 -0.551 . . . . 70.54 110.852 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.438 ' HA2' HD12 ' B' ' 9' ' ' LEU . . . 110.11 -24.04 19.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 74.01 112.622 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.487 HG13 ' O ' ' B' ' 7' ' ' GLU . 45.5 t -82.17 122.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 75.03 111.047 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -60.81 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.83 169.08 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 71.54 110.989 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.677 HG21 HG11 ' B' ' 63' ' ' VAL . 21.7 t -130.17 137.57 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.185 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.22 125.02 25.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.211 -0.45 . . . . 71.41 111.099 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -65.93 112.74 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 17.4 t -85.81 133.72 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 70.32 111.158 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.41 HG23 ' HA ' ' B' ' 2' ' ' VAL . 0.3 OUTLIER -163.35 -67.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 70.41 110.926 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 88.7 p -101.62 33.71 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 64.34 111.002 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.23 85.3 2.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 72.03 111.063 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.205 -0.902 . . . . 72.31 111.15 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.794 0.331 . . . . 75.31 111.199 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.07 144.94 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.197 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -99.57 162.25 13.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.264 -0.425 . . . . 74.21 110.986 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.666 HD11 ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt -142.53 132.02 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 71.33 111.588 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.474 ' HB2' HG22 ' A' ' 75' ' ' VAL . 5.3 tt0 -106.37 108.45 19.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.09 -0.505 . . . . 71.15 110.504 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.446 HG13 HG22 ' A' ' 72' ' ' VAL . 18.5 t -104.24 112.93 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 120.868 0.366 . . . . 64.13 111.617 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.552 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.7 mt-10 -92.72 125.69 37.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.564 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.41 157.0 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 73.52 111.386 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.725 ' CD1' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -52.05 151.57 3.63 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.219 -0.446 . . . . 53.54 110.742 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 31.7 p-10 -64.18 87.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 71.14 111.769 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.626 HH21 HD22 ' A' ' 9' ' ' LEU . 4.0 tpp180 -153.74 116.94 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.598 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.658 ' ND1' HD12 ' B' ' 29' ' ' ILE . 2.0 t60 -53.34 -29.24 33.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.764 0.316 . . . . 72.33 110.85 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -52.18 -30.17 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.355 -0.384 . . . . 71.35 110.839 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.876 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.0 mm? -67.54 -45.96 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.12 110.54 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.639 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.5 mm? -61.13 -46.68 89.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.801 -0.636 . . . . 73.23 110.643 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 t -63.61 -40.21 96.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 64.41 110.428 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -41.78 96.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.6 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 14' ' ' LEU . 39.5 t -68.3 -36.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 63.45 110.792 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.621 HG22 ' OG ' ' B' ' 16' ' ' SER . 65.9 m -68.42 -38.68 81.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.25 110.504 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -40.45 97.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 73.3 110.665 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.88 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 74.43 110.886 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD13 HG12 ' A' ' 29' ' ' ILE . 10.3 mt -66.26 -46.29 77.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.696 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.07 75.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.858 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.96 -29.49 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.722 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 4.3 mp0 -109.95 28.41 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.941 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 5.6 pttt 47.0 31.78 1.65 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 53.02 111.127 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.81 111.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 63.02 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -80.1 117.6 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.644 HG12 HD13 ' A' ' 22' ' ' LEU . 3.3 mp -96.34 131.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.08 -33.5 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 72.1 111.167 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.652 ' OG ' HG23 ' B' ' 35' ' ' THR . 4.3 m -173.12 171.59 4.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 72.51 111.084 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.71 145.0 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 42.04 111.046 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -163.56 135.5 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 71.53 111.067 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.727 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.3 p -131.06 140.11 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.351 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -136.57 139.82 42.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -68.29 115.56 7.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.963 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.457 ' HB3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.91 -51.01 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 63.51 110.87 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -129.95 -91.78 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.824 -0.703 . . . . 40.34 112.411 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.94 -73.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 74.35 110.834 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -97.38 34.0 1.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 74.31 110.515 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.5 m -137.43 111.43 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.753 -0.658 . . . . 74.23 111.375 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -111.83 119.38 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.009 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.727 ' C ' HG23 ' A' ' 34' ' ' VAL . 26.4 mt -89.87 116.66 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.43 111.225 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.496 ' OG ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -97.97 148.97 22.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.755 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.544 ' HD3' HG21 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -140.45 117.17 10.94 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.183 -0.462 . . . . 43.44 110.579 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -118.32 143.69 46.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.153 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.6 m -124.83 128.0 48.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.6 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 4' ' ' ILE . 2.0 p90 -150.64 170.82 18.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.315 -0.402 . . . . 74.22 111.088 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -137.33 112.0 8.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.086 -0.506 . . . . 64.54 110.943 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -150.01 153.65 36.88 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.955 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.43 26.39 13.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.484 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.37 101.59 36.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.52 0.2 . . . . 72.15 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.44 -37.47 17.3 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.389 2.06 . . . . 73.44 112.32 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.01 82.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.027 -0.533 . . . . 72.32 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -40.68 43.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 71.35 110.438 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -32.84 72.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 75.0 109.902 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.37 -44.0 29.29 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 74.1 111.638 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -30.89 68.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 71.33 110.693 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.1 -49.88 72.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 71.53 110.86 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -46.56 85.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.961 -0.563 . . . . 71.12 110.833 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.743 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.07 97.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.809 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 59' ' ' LEU . 13.1 t -57.73 -29.98 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.883 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -61.42 -29.2 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 71.05 110.807 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -80.68 -1.06 40.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.272 -0.422 . . . . 74.2 111.446 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.4 t -76.11 104.11 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.961 0.41 . . . . 74.54 110.74 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.27 120.78 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.616 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.549 ' HA3' HD11 ' A' ' 9' ' ' LEU . . . 110.14 -23.14 21.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.678 -0.772 . . . . 72.24 112.513 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.696 HG22 ' HB2' ' A' ' 8' ' ' ALA . 38.4 t -87.13 123.51 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.24 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -54.4 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.076 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 73.2 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.526 HG21 ' CG1' ' A' ' 63' ' ' VAL . 21.7 t -131.39 137.07 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.158 -0.473 . . . . 73.25 111.279 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.39 127.83 30.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.282 -0.417 . . . . 63.23 111.324 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.32 113.51 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.763 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 1.4 t -85.84 171.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 75.21 110.871 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.548 ' H ' HG12 ' A' ' 75' ' ' VAL . 9.7 t -83.78 157.78 21.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 75.33 110.953 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 p -167.49 85.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.858 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.73 132.59 51.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 51.12 111.11 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.255 -0.878 . . . . 63.12 111.099 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.827 0.346 . . . . 74.32 111.152 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.25 149.11 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.33 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.02 157.67 28.38 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.1 -0.5 . . . . 72.13 110.884 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.836 HD11 ' CE1' ' B' ' 48' ' ' PHE . 2.9 mp -137.34 132.06 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.384 -0.371 . . . . 75.25 111.357 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -106.29 106.48 17.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.132 -0.486 . . . . 65.12 110.529 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -103.55 112.89 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.327 -0.397 . . . . 54.42 111.477 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.571 ' O ' HG13 ' B' ' 69' ' ' VAL . 2.8 tp10 -94.13 139.24 31.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.724 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.42 158.72 32.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.333 -0.394 . . . . 75.53 111.152 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.794 ' O ' HD12 ' B' ' 14' ' ' LEU . 0.7 OUTLIER -59.5 140.3 56.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.874 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.78 102.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -153.39 169.19 23.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.845 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -98.92 31.29 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.831 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.37 -45.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.794 HD12 ' O ' ' B' ' 9' ' ' LEU . 73.8 mt -55.89 -39.77 72.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 70.11 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.676 ' HG ' HG21 ' B' ' 34' ' ' VAL . 9.6 mp -59.21 -55.36 35.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 73.21 110.358 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.621 ' OG ' HG22 ' A' ' 19' ' ' THR . 1.1 m -58.91 -31.01 68.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 63.11 110.197 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.79 -47.68 79.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 73.14 110.379 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 14' ' ' LEU . 47.4 t -64.93 -41.98 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.963 -0.562 . . . . 75.1 110.615 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.541 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.52 -38.5 80.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 41.42 110.21 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.96 -40.26 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 75.32 110.707 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.35 91.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 70.35 110.579 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' B' ' 59' ' ' LEU . 68.1 mt -73.85 -33.55 64.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.836 -0.62 . . . . 75.11 110.613 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.35 -23.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 75.2 111.197 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -52.42 -30.96 32.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.055 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -111.52 18.45 19.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.176 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp 52.43 28.67 6.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 75.5 111.272 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.55 96.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 53.34 110.844 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -64.0 100.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.776 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.658 HD12 ' ND1' ' A' ' 12' ' ' HIS . 16.3 mt -83.42 136.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 75.34 110.728 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 91.3 mt -74.73 -21.47 59.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 74.53 111.194 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.621 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.9 OUTLIER -160.3 131.09 5.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 64.02 111.311 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.639 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -128.2 130.45 48.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.952 -0.567 . . . . 74.31 110.553 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 45' ' ' ARG . 41.3 t -159.6 132.71 6.93 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.828 -0.349 . . . . 63.14 111.509 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.676 HG21 ' HG ' ' B' ' 15' ' ' LEU . 11.5 p -131.06 126.67 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.16 -0.473 . . . . 72.43 111.308 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.652 HG23 ' OG ' ' A' ' 31' ' ' SER . 78.7 m -136.55 152.77 50.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.921 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -84.08 136.86 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.606 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -83.7 -32.4 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.807 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.09 -92.44 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.279 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.28 -69.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 74.2 110.765 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -98.17 34.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.54 110.467 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.482 ' O ' HG13 ' B' ' 41' ' ' VAL . 13.8 p -137.4 119.93 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.795 -0.639 . . . . 72.23 111.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.73 148.04 33.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 44.34 111.036 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.606 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.0 mt -130.11 114.2 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.226 -0.443 . . . . 62.24 111.374 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.04 151.63 20.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.693 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.458 ' NH1' HG11 ' B' ' 75' ' ' VAL . 8.5 mtp85 -138.69 117.31 12.17 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.487 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' B' ' 29' ' ' ILE . 71.1 m-85 -120.96 125.22 46.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.164 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 69.2 m -115.04 115.33 26.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.913 -0.585 . . . . 74.41 109.829 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.836 ' CE1' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -145.78 171.32 14.94 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.023 0.44 . . . . 75.24 111.471 -179.472 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.43 159.86 17.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.853 -0.612 . . . . 73.22 110.608 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ptp -109.04 151.8 25.88 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.281 -0.418 . . . . 70.1 111.249 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.98 -63.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.92 -0.657 . . . . 74.52 112.349 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.38 140.91 21.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.638 0.256 . . . . 63.05 110.78 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.76 -34.92 2.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 52.15 112.489 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.84 -35.37 80.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.973 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -77.54 -43.72 31.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.756 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -32.53 64.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.277 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.42 -39.94 29.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.689 -0.767 . . . . 72.44 111.921 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -77.71 -29.3 51.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.725 0.298 . . . . 73.3 110.881 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.835 ' O ' HG23 ' B' ' 63' ' ' VAL . 8.3 tt -63.72 -48.12 78.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 60.14 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.37 -49.91 75.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.826 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.34 -37.41 83.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 52.41 110.565 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.87 98.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 62.43 110.82 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.835 HG23 ' O ' ' B' ' 59' ' ' LEU . 20.8 t -57.12 -31.68 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 53.41 110.949 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -61.39 -28.69 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.857 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.4 -0.22 36.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 73.03 111.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 63' ' ' VAL . 25.1 t -77.4 104.2 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 120.927 0.394 . . . . 74.32 110.633 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.417 ' O ' HD22 ' B' ' 14' ' ' LEU . 14.3 mt-10 -52.28 119.75 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.913 -0.585 . . . . 70.54 110.939 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.528 ' HA3' HD22 ' B' ' 14' ' ' LEU . . . 110.18 -24.18 19.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 74.01 112.742 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.571 HG13 ' O ' ' B' ' 7' ' ' GLU . 44.1 t -81.62 124.33 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 120.856 0.36 . . . . 75.03 110.988 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -68.42 -59.14 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.964 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.82 169.1 13.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.883 -0.599 . . . . 71.54 111.03 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.481 HG21 HG11 ' B' ' 63' ' ' VAL . 21.5 t -128.3 130.02 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.102 -0.499 . . . . 72.14 111.151 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -135.34 127.81 30.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.348 -0.387 . . . . 71.41 111.173 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.91 117.42 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.5 HG12 ' N ' ' B' ' 76' ' ' THR . 98.6 t -85.82 158.71 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 70.32 111.237 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.5 ' N ' HG12 ' B' ' 75' ' ' VAL . 11.3 m 67.5 98.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 70.41 111.005 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.1 36.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 64.34 110.857 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.44 164.0 21.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 72.03 111.017 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.219 -0.896 . . . . 72.31 111.111 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 30' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.902 0.382 . . . . 75.31 111.183 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t -82.27 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 64.2 111.258 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -112.53 168.42 9.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.99 -0.55 . . . . 74.21 110.633 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.518 HD12 ' CE2' ' A' ' 48' ' ' PHE . 79.6 mt -148.67 142.63 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.323 -0.399 . . . . 71.33 111.168 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -112.34 130.09 56.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.07 -0.514 . . . . 71.15 110.605 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 72' ' ' VAL . 18.7 t -118.41 112.66 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.911 0.386 . . . . 64.13 111.323 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.7 tt0 -89.23 128.7 35.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.054 -0.521 . . . . 72.24 110.526 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.731 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.49 163.74 35.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.392 -0.367 . . . . 73.52 111.309 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.18 153.69 4.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.846 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.74 ' OD1' HG22 ' A' ' 36' ' ' THR . 30.3 t0 -65.43 77.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 71.14 111.132 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -153.5 125.91 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.745 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.903 ' ND1' HD12 ' B' ' 29' ' ' ILE . 30.3 t60 -57.54 -25.15 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 72.33 110.845 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -35.57 61.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 71.35 110.631 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.819 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.9 mm? -65.76 -43.54 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 72.12 110.617 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD11 ' HB ' ' A' ' 34' ' ' VAL . 3.5 mm? -62.41 -50.39 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.89 -0.595 . . . . 73.23 110.572 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 p -61.33 -37.04 81.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.844 -0.616 . . . . 64.41 110.496 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.85 -43.19 93.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.611 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 14' ' ' LEU . 23.8 t -70.3 -34.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 63.45 110.665 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 m -69.26 -35.39 76.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 72.25 110.461 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -62.08 -40.08 94.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.525 . . . . 73.3 110.62 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.83 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.985 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 27' ' ' VAL . 92.7 mt -64.3 -55.66 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 75.54 110.816 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.09 -32.08 73.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.984 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -29.84 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.929 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -105.09 22.77 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.14 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 56.91 47.16 18.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.874 0.369 . . . . 53.02 110.939 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' LEU . 29.9 t -97.41 122.59 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.139 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -82.24 123.04 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.02 110.797 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD12 HD23 ' B' ' 15' ' ' LEU . 36.0 mt -96.38 113.52 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.295 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 1' ' ' LEU . 11.1 mt -75.13 -29.9 60.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.819 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.27 166.13 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 72.51 110.703 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.6 145.63 5.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 42.04 111.282 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 91.2 p -163.78 136.97 5.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.338 -0.392 . . . . 71.53 111.182 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 32' ' ' ALA . 11.1 p -131.02 142.56 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.4 111.291 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -136.62 148.23 47.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.853 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.74 HG22 ' OD1' ' A' ' 10' ' ' ASP . 22.5 p -73.0 110.01 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.926 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.735 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -56.69 -66.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 63.51 111.064 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.64 -103.79 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.67 -0.776 . . . . 40.34 112.54 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.5 t0 -100.25 110.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 74.35 111.041 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mmt-85 58.55 38.08 25.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 39' ' ' ASP . 21.4 t -137.31 132.24 45.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 74.23 111.145 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -131.01 116.03 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 74.01 111.211 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.735 HD11 ' OG ' ' A' ' 37' ' ' SER . 18.6 mt -89.82 109.88 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.15 -0.477 . . . . 70.43 110.962 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.01 151.51 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.14 111.144 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -143.76 124.82 14.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.926 -0.579 . . . . 43.44 110.205 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.612 ' HE1' HG11 ' A' ' 18' ' ' VAL . 4.0 m-85 -124.9 131.08 53.48 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.937 0.399 . . . . 64.33 111.546 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -106.45 115.79 30.82 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.886 -0.597 . . . . 74.21 110.386 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CE2' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -150.68 158.92 44.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.219 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.66 163.8 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.901 -0.59 . . . . 64.54 110.749 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.554 ' HG3' HD12 ' A' ' 56' ' ' LEU . 4.8 mmt -148.74 154.7 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 73.44 111.115 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.07 -42.96 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.819 -0.705 . . . . 74.22 112.388 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.83 143.29 26.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.63 0.252 . . . . 72.15 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.32 -31.52 5.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.579 2.186 . . . . 73.44 112.451 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -62.89 -31.6 72.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.086 -0.506 . . . . 72.32 110.987 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.754 ' O ' HD13 ' A' ' 59' ' ' LEU . 20.6 m80 -77.53 -44.38 28.86 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.244 -0.435 . . . . 71.35 110.681 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 50' ' ' MET . 9.8 tt -71.3 -34.13 70.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 75.0 110.231 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.05 -38.57 34.9 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.761 -0.733 . . . . 74.1 111.904 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -75.9 -29.41 58.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.719 0.295 . . . . 71.33 110.889 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 63' ' ' VAL . 3.1 mp -61.46 -49.3 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.938 0.399 . . . . 71.53 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -58.16 -45.43 87.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 71.12 110.862 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.75 -40.89 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.76 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.67 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 71.12 110.822 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.7 t -57.49 -29.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 74.43 110.88 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.74 -30.27 69.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 71.05 110.723 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.75 -4.4 43.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 74.2 111.514 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 63' ' ' VAL . 29.8 t -77.64 104.17 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.898 0.38 . . . . 74.54 110.642 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.608 ' O ' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -53.51 119.6 5.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.033 -0.53 . . . . 74.1 110.719 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.19 -21.72 24.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.777 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 8' ' ' ALA . 46.8 t -84.81 125.34 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 120.881 0.372 . . . . 72.24 111.08 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.31 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 63.24 111.433 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -163.63 169.21 18.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 73.2 111.247 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.55 HG21 HG11 ' A' ' 63' ' ' VAL . 24.1 t -128.85 134.93 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.942 -0.572 . . . . 73.25 111.264 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.62 138.73 43.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.853 0.358 . . . . 63.23 111.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -69.25 122.99 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.79 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 76' ' ' THR . 77.7 t -85.61 157.86 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 75.21 111.148 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 75' ' ' VAL . 11.4 t 47.96 -174.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.823 -0.626 . . . . 75.33 111.415 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.61 152.19 13.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.886 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.77 109.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 51.12 111.153 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.266 -0.873 . . . . 63.12 111.07 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.453 ' H1 ' HD23 ' B' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.795 0.331 . . . . 74.32 111.188 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' VAL . . . . . 0.536 HG12 ' CD1' ' B' ' 4' ' ' ILE . 35.7 t -82.25 135.28 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.03 0.443 . . . . 71.32 111.336 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.787 ' C ' HD12 ' B' ' 4' ' ' ILE . . . -98.69 128.96 45.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.803 -0.635 . . . . 72.13 110.956 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.787 HD12 ' C ' ' B' ' 3' ' ' ALA . 1.7 mp -125.99 142.61 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 75.25 111.215 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.47 127.46 55.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.929 -0.578 . . . . 65.12 110.375 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.35 112.9 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 120.887 0.375 . . . . 54.42 111.516 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.567 ' O ' HG13 ' B' ' 69' ' ' VAL . 2.3 mp0 -92.13 137.31 32.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.13 -0.486 . . . . 75.13 110.634 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.36 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 75.53 111.248 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' LEU . . . . . 0.768 ' O ' HD12 ' B' ' 14' ' ' LEU . 5.5 tp -57.98 143.45 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.908 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.32 101.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.935 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.24 174.44 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 62.53 110.822 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 51.6 p-80 -97.68 -31.02 12.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.875 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.7 -35.47 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.965 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.768 HD12 ' O ' ' B' ' 9' ' ' LEU . 73.2 mt -60.81 -50.54 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 70.11 110.866 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LEU . . . . . 0.609 ' CD1' HG11 ' B' ' 34' ' ' VAL . 48.7 tp -57.67 -49.43 76.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 73.21 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -61.43 -32.72 72.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.928 -0.578 . . . . 63.11 110.502 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -45.76 79.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 73.14 110.553 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 14' ' ' LEU . 21.3 t -63.73 -45.23 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.972 -0.558 . . . . 75.1 110.612 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.457 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -68.64 -40.79 80.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.834 -0.621 . . . . 41.42 110.164 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -35.96 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 75.32 110.719 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.9 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 70.35 110.692 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.554 ' CD2' HD11 ' B' ' 59' ' ' LEU . 19.3 mt -70.8 -32.54 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.797 -0.638 . . . . 75.11 110.621 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -27.24 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 75.2 111.128 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -56.76 -41.31 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 74.53 110.879 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.51 19.7 11.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 73.12 110.935 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm 53.94 26.2 6.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.308 -0.406 . . . . 75.5 111.125 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.2 t -58.38 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 53.34 110.572 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -64.0 100.6 0.32 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 74.34 111.203 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.903 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -92.53 132.54 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.284 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 47' ' ' THR . 9.0 mt -74.55 -22.42 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 74.53 111.2 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.405 ' H ' HG22 ' B' ' 29' ' ' ILE . 1.4 m -141.68 138.54 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 64.02 111.242 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -144.64 121.62 11.36 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.953 -0.567 . . . . 74.31 110.529 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.3 m -161.99 134.72 5.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.802 0.334 . . . . 63.14 111.574 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.609 HG11 ' CD1' ' B' ' 15' ' ' LEU . 11.4 p -131.08 129.5 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.248 -0.433 . . . . 72.43 111.234 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -136.67 154.08 50.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.937 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -84.99 128.2 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.931 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' HD11 ' B' ' 43' ' ' ILE . 2.4 t -69.75 -66.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.892 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.55 -73.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.711 . . . . 71.54 112.429 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -141.06 -68.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.709 0.29 . . . . 74.2 110.891 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.58 37.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.613 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 t -137.33 122.9 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.002 -0.545 . . . . 72.23 111.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.43 114.55 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 44.34 111.001 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' B' ' 37' ' ' SER . 30.6 mt -98.25 116.03 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.286 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 150.48 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.43 110.678 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' B' ' 33' ' ' SER . 8.1 mtt180 -133.53 117.19 16.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.266 -0.425 . . . . 75.41 110.388 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -130.45 125.29 34.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.048 0.451 . . . . 74.55 111.266 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.546 ' O ' HG22 ' B' ' 29' ' ' ILE . 64.6 m -117.62 115.29 24.79 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.822 -0.626 . . . . 74.41 109.981 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.639 ' CE1' HD13 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -128.04 171.26 12.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.958 0.408 . . . . 75.24 111.612 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.24 165.83 14.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 73.22 110.587 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 5.9 ptm -108.85 148.54 30.45 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.958 0.408 . . . . 70.1 111.302 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.89 -61.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.612 . . . . 74.52 112.392 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -106.51 99.9 27.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.504 0.193 . . . . 63.05 110.874 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.27 -31.43 46.46 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.484 2.123 . . . . 52.15 112.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -36.37 83.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.961 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -77.3 -38.67 50.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.576 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.26 -30.97 63.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 53.33 110.047 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -44.61 22.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.773 -0.727 . . . . 72.44 111.845 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -29.48 60.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.31 . . . . 73.3 110.785 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 63' ' ' VAL . 8.3 tt -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.407 . . . . 60.14 110.824 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.76 -51.2 71.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 72.13 110.67 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.09 -36.29 81.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 52.41 110.473 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 62.43 110.692 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.4 t -55.74 -33.66 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 53.41 110.97 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -62.21 -29.58 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.866 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -82.7 2.26 34.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.653 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' B' ' 63' ' ' VAL . 23.1 t -81.08 104.15 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 120.908 0.385 . . . . 74.32 110.713 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.58 119.75 5.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.542 . . . . 70.54 110.926 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 -24.06 19.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.725 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.567 HG13 ' O ' ' B' ' 7' ' ' GLU . 58.8 t -79.99 122.71 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.843 0.354 . . . . 75.03 110.953 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.78 -60.88 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 75.41 110.97 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -166.79 169.16 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 71.54 111.171 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.476 ' CG2' HG11 ' B' ' 63' ' ' VAL . 21.9 t -122.06 129.62 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.928 -0.578 . . . . 72.14 111.101 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.39 135.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.877 0.37 . . . . 71.41 111.253 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 4' ' ' ILE . 0.1 OUTLIER -69.97 120.27 15.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 73.22 110.972 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 19.4 t -85.74 159.16 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 70.32 111.134 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.478 ' N ' HG12 ' B' ' 75' ' ' VAL . 11.9 p -143.8 151.7 40.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 70.41 110.915 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 36.8 p -118.1 -179.08 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 64.34 110.991 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.37 132.24 45.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 72.03 111.126 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.21 -0.9 . . . . 72.31 111.094 179.997 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.85 HD22 ' HB2' ' A' ' 79' ' ' ALA . 4.1 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.854 0.359 . . . . 75.31 111.231 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.403 ' CG1' ' CG ' ' A' ' 74' ' ' ARG . 24.2 t -82.17 141.3 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.2 111.229 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.794 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -107.8 165.92 11.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.041 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 3' ' ' ALA . 13.0 mm -139.87 132.08 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.376 -0.374 . . . . 71.33 111.491 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.481 ' HG3' HG21 ' A' ' 75' ' ' VAL . 1.0 OUTLIER -109.12 104.79 14.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.987 -0.552 . . . . 71.15 110.506 179.648 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.488 HG13 HG22 ' A' ' 72' ' ' VAL . 17.9 t -102.98 112.83 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.32 -0.4 . . . . 64.13 111.365 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -90.02 132.86 35.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.24 110.846 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.3 166.88 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.371 -0.377 . . . . 73.52 111.201 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mt -48.44 146.42 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 53.54 111.199 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 35.9 t0 -64.96 82.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 71.14 111.226 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HB3' HD23 ' A' ' 14' ' ' LEU . 4.7 ttm180 -153.54 139.87 18.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.882 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' HIS . . . . . 0.708 ' ND1' HD11 ' A' ' 15' ' ' LEU . 4.6 t60 -71.49 -9.69 58.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.464 -0.334 . . . . 72.33 110.995 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 71.35 110.785 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.4 mm? -62.42 -56.87 14.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.722 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' B' ' 32' ' ' ALA . 1.0 OUTLIER -56.24 -34.04 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.23 110.72 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.437 ' HA ' HG21 ' B' ' 19' ' ' THR . 15.8 p -66.81 -46.61 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.496 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.8 -41.19 97.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.662 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.2 t -66.6 -41.86 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 63.45 110.77 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 72.25 110.556 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -60.94 -37.61 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 73.3 110.658 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.84 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 74.43 110.958 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.652 HD23 HD11 ' A' ' 59' ' ' LEU . 54.7 mt -65.39 -46.18 81.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 75.54 110.818 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.14 -32.56 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.12 111.096 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.89 -32.76 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.946 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.3 tt0 -100.29 19.46 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.189 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.92 34.8 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.082 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 25' ' ' GLU . 23.5 t -82.34 115.36 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 63.02 111.036 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -74.88 111.58 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.02 110.921 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.497 HG12 HD13 ' A' ' 22' ' ' LEU . 3.2 mt -96.38 125.93 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.044 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 49' ' ' GLU . 67.5 mt -75.11 -35.58 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 72.1 111.078 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.555 ' OG ' HG23 ' B' ' 35' ' ' THR . 2.3 m -173.22 171.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 72.51 111.032 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.677 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -166.19 149.12 7.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 42.04 111.164 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.59 130.4 3.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 71.53 110.975 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 44' ' ' SER . 17.9 m -112.19 147.22 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.354 -0.385 . . . . 74.4 111.413 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 t -136.53 134.05 37.12 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.941 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.521 HG22 ' OD2' ' A' ' 10' ' ' ASP . 17.2 p -72.09 102.47 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 71.24 111.118 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 t -90.37 141.77 28.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 63.51 110.701 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.42 -103.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 40.34 112.337 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.78 -69.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 74.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.54 35.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.653 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.3 135.68 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 74.23 111.144 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -126.33 120.15 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.159 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.8 mt -89.9 115.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.111 -0.495 . . . . 70.43 110.809 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.722 ' HA ' HG12 ' A' ' 34' ' ' VAL . 31.4 t -97.96 136.04 38.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 73.14 111.157 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -118.42 141.5 48.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.11 -0.496 . . . . 43.44 110.593 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' PHE . . . . . 0.677 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 16.6 m-85 -147.86 125.52 11.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.994 0.426 . . . . 64.33 111.156 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -110.94 130.03 55.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.53 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -150.76 169.74 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 74.22 111.165 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.8 tm-20 -137.31 116.9 12.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.084 -0.507 . . . . 64.54 111.06 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.531 ' HB2' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -149.86 165.83 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.904 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.92 -32.44 2.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 74.22 112.667 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.42 109.32 1.67 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.596 0.236 . . . . 72.15 110.968 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.05 -33.76 9.2 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.464 2.11 . . . . 73.44 112.376 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -33.38 75.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 72.32 110.897 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -77.44 -44.47 28.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.603 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 50' ' ' MET . 2.1 mp -71.13 -33.52 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.87 -40.3 36.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.707 -0.759 . . . . 74.1 111.84 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -73.44 -32.49 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 71.33 110.773 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 6.3 tp -62.72 -47.07 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.0 0.429 . . . . 71.53 110.944 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.56 -48.94 77.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.852 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.684 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.94 92.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 71.12 110.77 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 17.3 t -57.92 -30.71 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 74.43 110.874 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -61.55 -27.23 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.05 110.951 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -86.63 9.05 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 74.2 111.586 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -85.39 104.21 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.889 0.375 . . . . 74.54 110.858 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -55.27 120.64 7.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 74.1 110.63 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -22.29 23.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 72.24 112.626 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 7' ' ' GLU . 46.5 t -84.58 125.51 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-O 120.815 0.341 . . . . 72.24 111.122 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -73.4 -56.91 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.256 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -166.76 169.16 13.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.98 -0.554 . . . . 73.2 110.962 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 63' ' ' VAL . 20.9 t -126.23 140.78 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.397 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -135.4 127.0 28.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.874 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' CG ' ' CG1' ' A' ' 2' ' ' VAL . 5.8 ttm180 -69.13 109.3 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.025 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 31.5 t -89.36 158.58 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.062 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.491 ' N ' HG12 ' A' ' 75' ' ' VAL . 2.7 p -136.44 156.24 48.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 75.33 110.945 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.1 -169.05 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.86 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.57 123.22 44.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 51.12 111.062 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.85 ' HB2' HD22 ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.214 -0.898 . . . . 63.12 111.163 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 1' ' ' LEU . . . . . 0.711 ' O ' HD23 ' B' ' 1' ' ' LEU . 3.5 tt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.879 0.371 . . . . 74.32 111.181 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.34 136.53 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 71.32 111.259 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -105.51 156.54 18.12 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.066 -0.515 . . . . 72.13 111.006 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 58.0 mt -146.49 144.88 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.366 -0.379 . . . . 75.25 111.481 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.812 ' HG3' HG21 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -118.93 122.5 42.4 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.106 -0.497 . . . . 65.12 110.617 179.746 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.48 112.79 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.273 -0.421 . . . . 54.42 111.589 -179.464 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' GLU . . . . . 0.738 ' CA ' HD12 ' B' ' 43' ' ' ILE . 10.6 tt0 -90.48 130.17 36.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.587 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 8' ' ' ALA . . . . . 0.812 ' HB1' HD22 ' B' ' 14' ' ' LEU . . . -159.31 161.1 35.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 75.53 111.225 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.11 144.13 24.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.774 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -73.71 76.06 1.55 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 73.03 111.433 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.694 ' HB2' HD12 ' B' ' 14' ' ' LEU . 13.6 mmt180 -126.21 140.23 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 62.53 110.626 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -53.8 -50.5 65.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 73.15 111.447 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -37.32 81.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 73.14 111.175 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 14' ' ' LEU . . . . . 0.837 HD21 ' HA3' ' B' ' 68' ' ' GLY . 0.2 OUTLIER -58.15 -39.66 79.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 70.11 111.045 -179.788 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.77 -52.48 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.458 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.3 m -61.24 -32.48 72.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.837 -0.62 . . . . 63.11 110.295 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.14 -45.06 86.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 73.14 110.626 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 14' ' ' LEU . 42.1 t -65.18 -47.02 89.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 75.1 110.63 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.624 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -67.29 -36.02 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.863 -0.608 . . . . 41.42 110.185 179.485 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -68.59 -39.66 80.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 75.32 110.631 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.14 95.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 70.35 110.655 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.708 HD23 HD11 ' B' ' 59' ' ' LEU . 93.7 mt -73.65 -31.49 63.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.813 -0.63 . . . . 75.11 110.602 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.78 -22.8 49.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 75.2 111.25 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.48 -34.47 49.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.386 -0.37 . . . . 74.53 111.017 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -109.3 19.78 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.029 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmpm? 54.02 27.56 7.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.387 -0.37 . . . . 75.5 111.218 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.38 92.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 53.34 110.729 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.96 100.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 74.34 110.882 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 29' ' ' ILE . . . . . 0.662 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.7 mt -84.63 136.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 75.34 110.22 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.837 HD11 ' HG2' ' B' ' 49' ' ' GLU . 8.7 mt -74.4 -25.25 59.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 74.53 110.56 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.1 OUTLIER -151.0 135.19 16.8 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.16 -0.473 . . . . 64.02 110.51 179.254 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.76 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -133.73 126.73 31.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.578 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 33' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.2 m -161.82 141.57 10.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.977 0.417 . . . . 63.14 111.698 -179.776 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -131.09 134.57 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.028 -0.533 . . . . 72.43 111.045 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' THR . . . . . 0.555 HG23 ' OG ' ' A' ' 31' ' ' SER . 1.3 m -136.58 154.01 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.009 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 7.5 t -58.39 137.38 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.898 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.4 t -94.01 -29.5 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.022 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' GLY . . . . . 0.733 ' N ' HG23 ' B' ' 41' ' ' VAL . . . 169.35 -116.59 0.66 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.529 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.33 106.6 18.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 74.2 110.949 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.8 ttm105 56.7 38.25 29.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 65.54 110.991 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 41' ' ' VAL . . . . . 0.733 HG23 ' N ' ' B' ' 38' ' ' GLY . 2.7 m -137.27 145.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 72.23 111.122 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.3 130.24 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.408 . . . . 44.34 111.049 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' ILE . . . . . 0.738 HD12 ' CA ' ' B' ' 7' ' ' GLU . 1.6 tp -111.46 130.36 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.263 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -97.94 158.16 15.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.53 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 33' ' ' SER . 2.4 ttt-85 -138.93 117.71 12.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.289 -0.414 . . . . 75.41 110.342 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.639 ' HB3' HG21 ' B' ' 29' ' ' ILE . 88.8 m-85 -125.7 125.21 42.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.252 -0.431 . . . . 74.55 111.569 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 48.4 m -112.18 115.06 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.866 -0.606 . . . . 74.41 109.553 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.415 ' HB3' HG23 ' B' ' 29' ' ' ILE . 2.7 p90 -138.0 171.42 14.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 75.24 111.583 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.837 ' HG2' HD11 ' B' ' 30' ' ' LEU . 67.2 mm-40 -88.16 165.39 15.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.696 -0.684 . . . . 73.22 110.737 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.07 158.25 17.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.31 -0.404 . . . . 70.1 111.191 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.21 -57.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.839 -0.696 . . . . 74.52 112.547 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.38 100.95 32.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.63 0.253 . . . . 63.05 110.966 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.59 -33.81 60.23 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.503 2.135 . . . . 52.15 112.369 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.23 -38.26 89.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 73.14 110.972 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -77.58 -42.19 36.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 74.11 110.717 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -71.46 -32.91 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.17 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.11 -39.58 26.96 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 72.44 111.879 179.411 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -26.65 52.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.689 0.281 . . . . 73.3 110.889 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 59' ' ' LEU . . . . . 0.824 ' O ' HG23 ' B' ' 63' ' ' VAL . 19.2 tp -62.28 -46.41 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.419 . . . . 60.14 110.997 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.66 -50.76 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.88 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.79 -36.49 81.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 52.41 110.536 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.48 96.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.729 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 63' ' ' VAL . . . . . 0.824 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.4 t -56.5 -30.8 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 53.41 111.003 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -30.88 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.12 110.777 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -76.12 -5.2 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.467 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 66' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 63' ' ' VAL . 35.2 t -75.44 104.13 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.858 0.361 . . . . 74.32 110.601 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.87 119.52 4.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 70.54 110.866 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.837 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.12 -23.83 20.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 74.01 112.768 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.576 HG22 ' HB2' ' B' ' 8' ' ' ALA . 65.3 t -80.42 118.8 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.882 0.373 . . . . 75.03 111.05 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.15 -51.07 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 75.41 111.179 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.7 169.15 13.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.23 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 72' ' ' VAL . . . . . 0.537 HG21 HG11 ' B' ' 63' ' ' VAL . 21.5 t -131.43 136.42 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.047 -0.524 . . . . 72.14 110.961 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.57 138.06 42.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.871 0.367 . . . . 71.41 111.565 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -71.85 117.91 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 73.22 110.565 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.812 HG21 ' HG3' ' B' ' 5' ' ' GLN . 48.7 t -93.34 160.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.027 0.441 . . . . 70.32 111.396 -179.501 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 76' ' ' THR . . . . . 0.522 ' N ' HG12 ' B' ' 75' ' ' VAL . 1.7 p 64.01 118.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 70.41 110.898 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.7 p -113.27 -36.39 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.943 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.04 75.29 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.03 111.141 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.275 -0.869 . . . . 72.31 111.083 -179.942 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.877 0.37 . . . . 2.43 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.05 146.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.72 111.221 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -113.22 170.93 7.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.186 -0.461 . . . . 0.57 111.016 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.635 HD11 ' CE2' ' A' ' 48' ' ' PHE . 29.2 mt -136.83 134.07 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.99 111.462 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.433 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.4 mt-30 -108.03 104.55 14.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.093 -0.503 . . . . 1.32 110.435 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 72' ' ' VAL . 20.6 t -103.17 112.66 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.255 -0.43 . . . . 0.38 111.568 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.515 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.5 tt0 -90.3 127.94 36.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.124 -0.489 . . . . 2.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.846 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.36 165.21 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.898 0.38 . . . . 0.42 111.355 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.726 ' O ' HD12 ' A' ' 14' ' ' LEU . 57.4 mt -54.16 148.18 11.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 1.81 110.949 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -65.06 84.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 2.15 111.278 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -153.71 124.4 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 2.88 110.682 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CG ' HD12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -58.27 -30.37 66.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.793 0.33 . . . . 1.62 110.645 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -38.56 64.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 3.18 110.819 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.846 HD13 ' HB1' ' A' ' 8' ' ' ALA . 75.4 mt -64.87 -43.73 92.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.694 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.7 mm? -62.5 -46.1 89.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 1.78 110.602 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 t -61.84 -40.78 96.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 1.19 110.424 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.79 -43.48 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 1.75 110.583 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 14' ' ' LEU . 34.4 t -66.23 -40.01 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.016 -0.538 . . . . 0.54 110.837 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.748 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.9 m -65.6 -36.88 85.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.5 110.424 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.98 -41.4 96.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 3.06 110.54 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.52 87.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 0.55 110.816 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 19' ' ' THR . 17.0 mt -65.65 -49.73 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.971 -0.559 . . . . 0.64 110.773 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.05 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.58 111.068 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -59.62 -31.05 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 1.62 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 23.74 13.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 2.57 111.118 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mttt 56.73 32.44 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.386 -0.37 . . . . 3.45 111.021 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -80.94 97.55 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.74 111.117 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.21 113.5 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 2.25 110.907 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.49 128.77 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.75 111.131 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.64 -34.03 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.85 110.957 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -173.02 169.44 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.22 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.09 151.73 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.41 111.227 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -163.72 132.82 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 1.47 110.776 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.462 HG23 ' C ' ' A' ' 43' ' ' ILE . 9.8 p -123.27 140.78 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.326 -0.397 . . . . 1.18 111.424 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -136.75 151.49 49.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.029 -0.532 . . . . 1.49 110.769 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -74.13 108.94 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 1.53 111.055 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.778 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -59.14 -56.32 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 1.41 110.876 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -129.73 -87.7 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.833 -0.698 . . . . 1.34 112.406 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.73 -76.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 2.69 110.73 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -96.81 33.35 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.06 0.457 . . . . 4.06 110.417 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.1 m -137.96 125.86 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 1.33 111.16 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.91 125.91 44.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.48 111.305 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.778 HD11 ' OG ' ' A' ' 37' ' ' SER . 8.1 mt -89.64 111.12 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.72 110.815 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -97.85 129.81 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.22 111.233 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.25 142.16 43.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.061 -0.518 . . . . 3.33 110.61 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.59 125.45 17.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.923 0.392 . . . . 2.08 111.365 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -110.43 116.28 31.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.971 -0.559 . . . . 0.82 110.583 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -151.1 146.84 26.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 1.52 111.166 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.74 145.44 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 2.47 110.806 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.437 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 1.1 mmt -150.06 161.46 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 4.78 111.088 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.76 -41.54 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 1.2 112.453 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.76 133.15 40.28 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.543 0.211 . . . . 1.99 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -78.04 -27.9 5.33 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.53 2.153 . . . . 1.21 112.46 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -60.02 -37.38 79.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 3.3 110.971 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -44.53 37.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 2.88 110.558 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -67.42 -31.99 72.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 1.89 110.059 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.82 -43.8 33.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.773 -0.727 . . . . 0.78 111.851 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -31.03 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.727 0.299 . . . . 2.6 110.954 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -61.34 -47.8 84.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.943 0.401 . . . . 1.62 111.019 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -58.33 -48.2 81.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.988 -0.551 . . . . 1.32 110.924 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.49 -38.59 87.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 1.97 110.733 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.9 97.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.63 110.82 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 12.1 t -57.72 -29.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.51 110.853 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -60.76 -29.77 69.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 2.91 110.776 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.17 -1.57 40.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 1.37 111.519 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.5 t -77.87 103.49 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.811 0.338 . . . . 0.54 110.869 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -52.56 120.12 5.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 2.43 110.661 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.18 24.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.47 112.563 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.9 t -87.37 124.25 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.43 111.073 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -54.82 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.39 111.165 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -166.82 169.3 13.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.03 -0.532 . . . . 1.97 111.041 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.428 HG22 HG13 ' A' ' 6' ' ' VAL . 25.3 t -126.54 139.54 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.48 111.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -135.77 124.59 23.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.9 111.048 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -63.54 113.7 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 3.09 110.821 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.7 t . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.72 111.262 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.1 t . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.81 111.242 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.602 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -98.68 167.88 10.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.51 111.074 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.493 HD11 ' HE1' ' B' ' 48' ' ' PHE . 34.3 mt -142.23 131.96 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.349 -0.387 . . . . 1.22 111.452 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -107.15 113.39 26.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.116 -0.493 . . . . 1.33 110.708 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.43 112.85 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.35 111.399 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.608 ' O ' HG13 ' B' ' 69' ' ' VAL . 5.6 tt0 -94.09 135.2 35.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.94 110.801 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.517 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -159.37 161.68 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.49 111.201 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.24 142.14 44.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.99 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.505 ' HA ' ' HB2' ' B' ' 42' ' ' ALA . 33.2 t0 -65.63 90.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 2.09 111.067 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -136.14 171.09 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.09 110.801 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.42 -12.57 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 2.34 111.333 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -100.5 -33.71 10.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 3.64 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.669 HD21 ' O ' ' B' ' 67' ' ' GLU . 12.6 mt -58.41 -40.72 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.39 110.958 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.833 HD11 HG11 ' B' ' 34' ' ' VAL . 0.2 OUTLIER -60.17 -56.96 15.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.06 -0.518 . . . . 1.96 110.316 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -58.85 -28.78 66.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 1.39 110.204 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -48.11 74.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.56 110.327 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 14' ' ' LEU . 47.2 t -65.41 -44.09 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.544 . . . . 0.46 110.413 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.521 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.88 -37.38 84.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.74 110.098 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -44.97 59.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.765 -0.652 . . . . 2.82 110.853 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.03 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.59 110.74 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.553 HD12 ' HE2' ' B' ' 46' ' ' PHE . 40.8 mt -78.64 -32.7 47.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.782 -0.644 . . . . 0.6 110.551 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.36 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.75 111.063 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.86 -28.3 9.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 2.02 111.035 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.04 16.34 22.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 2.25 111.185 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 mttt 50.95 30.33 5.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.464 -0.334 . . . . 2.75 111.264 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.93 97.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.54 110.747 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.72 110.58 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 2.07 110.834 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.626 HG22 ' H ' ' B' ' 31' ' ' SER . 17.4 mt -96.38 136.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.619 . . . . 0.47 110.65 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 47' ' ' THR . 94.2 mt -74.23 -22.29 59.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.75 111.037 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.626 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -163.04 130.83 3.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.056 0.455 . . . . 1.23 111.115 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.4 126.84 41.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.955 -0.566 . . . . 0.4 110.508 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.3 p -156.75 141.18 16.67 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 1.2 111.606 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.833 HG11 HD11 ' B' ' 15' ' ' LEU . 10.5 p -131.37 134.61 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.67 111.142 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.8 p -136.76 143.83 43.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.123 -0.489 . . . . 1.56 110.967 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.5 p -76.39 128.16 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.44 110.964 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.444 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -70.38 -67.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.69 110.898 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -70.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.821 -0.704 . . . . 1.42 112.442 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -68.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 2.22 110.809 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -97.04 37.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 3.9 110.578 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 122.5 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.0 -0.546 . . . . 1.61 111.282 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' B' ' 10' ' ' ASP . . . -113.77 115.84 28.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.7 110.968 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.444 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.8 mt -102.87 113.93 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.156 -0.474 . . . . 1.71 111.366 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 25.0 m -97.9 154.44 17.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.09 110.527 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.96 116.69 10.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.791 0.329 . . . . 2.84 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.553 ' HE2' HD12 ' B' ' 22' ' ' LEU . 15.9 m-30 -116.2 124.78 51.11 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.004 -0.543 . . . . 1.35 111.085 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' LEU . 61.8 m -111.56 117.59 33.41 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.016 -0.538 . . . . 0.6 109.913 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.493 ' HE1' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -146.35 171.95 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 1.68 111.448 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -87.59 162.69 17.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.901 -0.591 . . . . 2.25 110.757 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.466 ' CG ' HD13 ' B' ' 56' ' ' LEU . 0.0 OUTLIER -108.99 163.15 13.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.956 0.408 . . . . 5.07 111.261 -179.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.56 -64.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.929 -0.653 . . . . 1.45 112.219 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.48 128.8 25.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.57 0.224 . . . . 2.06 110.701 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -29.29 17.1 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.418 2.078 . . . . 1.45 112.404 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -64.92 -37.07 86.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 3.25 110.929 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -76.45 -44.52 35.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 2.3 110.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' B' ' 50' ' ' MET . 6.6 tt -67.03 -32.08 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.74 110.081 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.51 27.01 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.746 -0.74 . . . . 0.78 111.866 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.27 -26.59 62.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.716 0.293 . . . . 2.38 110.811 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.779 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.4 OUTLIER -60.84 -54.04 49.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 1.76 110.888 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -47.9 80.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.786 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -35.56 79.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 1.74 110.663 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.08 -45.0 82.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.59 110.785 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.779 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.5 t -57.1 -30.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.46 111.005 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -61.61 -29.99 70.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 2.45 110.74 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -81.08 0.26 36.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.35 111.569 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' B' ' 63' ' ' VAL . 22.0 t -82.2 103.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.5 110.78 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.669 ' O ' HD21 ' B' ' 14' ' ' LEU . 14.4 mt-10 -53.7 119.77 5.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.059 -0.518 . . . . 2.66 110.985 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.29 -24.3 18.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.49 112.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.608 HG13 ' O ' ' B' ' 7' ' ' GLU . 46.5 t -80.44 124.91 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.82 110.983 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 2.7 111.012 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.87 169.24 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 1.56 111.114 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.528 ' CG2' HG11 ' B' ' 63' ' ' VAL . 22.0 t -123.74 136.73 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.38 111.131 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.44 124.81 24.78 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.288 -0.415 . . . . 1.79 111.252 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.1 112.85 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 3.18 110.783 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.602 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.3 t . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.68 111.238 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.882 0.372 . . . . 75.31 111.178 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.1 143.5 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.091 -0.504 . . . . 64.2 111.243 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.433 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -100.62 159.54 15.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.453 HD11 ' CE2' ' A' ' 48' ' ' PHE . 25.2 mt -137.34 134.44 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 120.973 0.416 . . . . 71.33 111.666 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.466 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.2 mt-30 -106.9 105.37 15.37 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.975 -0.557 . . . . 71.15 110.332 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.6 112.87 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.902 0.382 . . . . 64.13 111.553 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -93.23 124.18 37.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.056 -0.52 . . . . 72.24 110.568 179.501 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.746 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.32 161.75 35.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 73.52 111.182 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 40' ' ' ARG . 10.8 mt -49.85 145.19 5.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 53.54 111.011 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.593 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 15.0 p-10 -60.38 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.14 111.133 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -152.91 121.51 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.23 110.624 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.549 ' CG ' HD12 ' B' ' 29' ' ' ILE . 1.5 t60 -58.57 -30.77 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.692 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -53.5 -37.46 62.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 71.35 110.831 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.9 mt -65.69 -42.23 91.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 72.12 110.627 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.66 -52.43 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.553 . . . . 73.23 110.61 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -60.99 -35.43 76.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.624 . . . . 64.41 110.499 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -42.6 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 74.11 110.533 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 14' ' ' LEU . 26.3 t -67.72 -38.47 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 63.45 110.817 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.462 HG21 HD22 ' B' ' 15' ' ' LEU . 11.4 m -67.28 -37.33 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 72.25 110.487 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -62.56 -40.54 97.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 73.3 110.718 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.2 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 74.43 110.823 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 27' ' ' VAL . 85.6 mt -66.6 -56.18 11.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 75.54 110.799 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.09 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.028 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.29 -29.91 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.865 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -103.7 22.86 13.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.994 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp 62.68 38.66 11.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 53.02 110.969 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 22' ' ' LEU . 29.8 t -94.66 121.85 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 63.02 111.003 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.35 117.45 29.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.027 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.9 129.05 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.031 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -75.09 -41.49 58.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.051 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -173.37 171.65 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 72.51 111.04 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.92 158.14 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 42.04 111.199 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 t -163.71 124.69 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.39 . . . . 71.53 110.929 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.542 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.1 p -121.08 139.09 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.293 -0.412 . . . . 74.4 111.375 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.5 m -136.66 137.52 40.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.05 -0.523 . . . . 73.22 110.86 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 111.85 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 71.24 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.636 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.8 t -60.67 -66.91 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 63.51 110.882 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -89.05 1.46 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.761 -0.733 . . . . 40.34 112.382 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.47 -72.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.35 110.789 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.483 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -97.27 35.5 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.039 0.447 . . . . 74.31 110.517 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.4 121.82 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 74.23 111.235 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.593 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -120.17 116.8 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.183 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.636 HD11 ' OG ' ' A' ' 37' ' ' SER . 14.5 mt -89.85 111.82 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.133 -0.485 . . . . 70.43 110.964 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.04 132.03 43.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.14 111.095 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD2' HG11 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -116.47 117.26 29.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.178 -0.465 . . . . 43.44 110.428 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -109.02 159.36 16.9 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.954 0.407 . . . . 64.33 111.43 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.7 m -145.6 115.27 7.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.799 -0.637 . . . . 74.21 110.308 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.1 p90 -150.78 171.16 17.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.336 -0.393 . . . . 74.22 111.218 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -88.53 149.72 23.47 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.07 -0.514 . . . . 64.54 110.701 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.509 ' SD ' HD22 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -109.15 160.48 16.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.888 0.375 . . . . 73.44 111.26 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.86 -78.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.946 -0.645 . . . . 74.22 112.286 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 141.91 23.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.622 0.249 . . . . 72.15 110.754 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -74.33 -19.15 19.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 73.44 112.684 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -41.96 87.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 72.32 111.19 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 56' ' ' LEU . 8.3 p80 -77.44 -38.17 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.733 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.509 HD22 ' SD ' ' A' ' 50' ' ' MET . 6.2 tp -74.84 -32.98 62.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 75.0 110.084 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.75 -41.52 34.19 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.805 -0.712 . . . . 74.1 111.765 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -75.87 -32.71 59.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.821 0.343 . . . . 71.33 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.891 ' O ' HG23 ' A' ' 63' ' ' VAL . 14.1 mt -63.25 -48.01 80.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.53 110.933 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -57.21 -48.52 78.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 71.12 110.822 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -61.12 -40.93 95.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.634 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.18 95.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 71.12 110.873 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 59' ' ' LEU . 13.8 t -58.45 -29.86 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.898 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -62.18 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.05 110.842 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -85.69 6.58 27.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.288 -0.415 . . . . 74.2 111.568 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.6 t -81.55 104.15 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 120.858 0.361 . . . . 74.54 110.797 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.18 120.07 5.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 74.1 110.675 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.15 -21.77 24.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 72.24 112.652 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 8' ' ' ALA . 25.2 t -87.52 124.7 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.789 0.328 . . . . 72.24 111.215 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -54.88 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 63.24 111.256 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -166.74 169.2 13.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.083 -0.508 . . . . 73.2 111.072 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.667 HG21 HG11 ' A' ' 63' ' ' VAL . 21.8 t -131.42 135.89 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.157 -0.474 . . . . 73.25 111.339 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 135.17 40.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.332 -0.395 . . . . 63.23 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -67.02 114.26 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.24 110.901 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.466 HG21 ' HG3' ' A' ' 5' ' ' GLN . 5.9 t . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t . . . . . 0 N--CA 1.45 -0.431 0 CA-C-O 120.863 0.363 . . . . 71.32 111.344 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -102.84 156.9 17.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.129 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' B' ' 48' ' ' PHE . 17.3 mt -134.11 132.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.399 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.412 ' HG3' HG21 ' B' ' 75' ' ' VAL . 1.1 mt-30 -107.62 106.5 16.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.085 -0.507 . . . . 65.12 110.547 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.55 112.91 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 120.906 0.384 . . . . 54.42 111.605 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -97.44 137.66 36.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.063 -0.517 . . . . 75.13 110.594 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.36 161.82 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.917 0.389 . . . . 75.53 111.334 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' B' ' 11' ' ' ARG . 3.9 pp -62.21 149.75 40.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 73.32 110.886 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.66 110.99 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.03 111.069 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.437 ' HB2' HD12 ' B' ' 9' ' ' LEU . 1.0 OUTLIER -153.43 132.56 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 62.53 110.81 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -29.77 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.15 111.172 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -89.72 -19.8 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.19 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.599 HD21 ' HA3' ' B' ' 68' ' ' GLY . 0.0 OUTLIER -57.75 -42.54 84.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.385 . . . . 70.11 110.984 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.772 HD11 HG11 ' B' ' 34' ' ' VAL . 0.9 OUTLIER -59.27 -56.92 15.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 73.21 110.457 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.4 m -57.84 -30.46 65.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.738 -0.664 . . . . 63.11 110.368 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 73.14 110.47 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 14' ' ' LEU . 40.5 t -66.66 -40.4 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.53 HG22 ' HE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.27 -37.26 77.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 41.42 110.223 179.461 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.47 -40.49 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 75.32 110.652 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.78 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 70.35 110.762 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.524 HD23 HD11 ' B' ' 59' ' ' LEU . 83.1 mt -75.07 -33.15 61.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 75.11 110.643 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.33 -23.32 60.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.998 -0.547 . . . . 75.2 111.277 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -49.63 -28.15 5.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.428 -0.351 . . . . 74.53 111.195 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 21.93 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 73.12 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 51.29 32.11 7.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 75.5 111.156 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.403 ' O ' HG13 ' B' ' 29' ' ' ILE . 30.6 t -58.68 100.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 53.34 110.855 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.44 107.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.34 110.845 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.549 HD12 ' CG ' ' A' ' 12' ' ' HIS . 8.5 mt -96.36 128.08 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 75.34 110.633 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 47' ' ' THR . 23.3 mt -74.66 -30.82 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.413 . . . . 74.53 110.411 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -136.03 131.27 34.73 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.098 -0.501 . . . . 64.02 110.933 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.31 122.16 19.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.482 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.9 t -157.02 133.06 9.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.931 0.396 . . . . 63.14 111.537 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.772 HG11 HD11 ' B' ' 15' ' ' LEU . 8.1 p -131.19 130.0 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.017 -0.538 . . . . 72.43 111.214 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -136.66 154.07 50.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.104 -0.498 . . . . 74.23 110.842 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.9 p -92.77 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.931 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -97.47 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.804 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.21 -120.71 1.41 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.857 -0.687 . . . . 71.54 112.444 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.69 -70.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 74.2 110.778 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -97.53 36.61 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 65.54 110.519 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -137.33 113.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.926 -0.579 . . . . 72.23 111.403 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.52 145.28 40.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 44.34 110.949 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mt -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 116.255 -0.43 . . . . 62.24 111.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 12.5 m -116.5 149.22 39.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.749 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -134.82 117.32 15.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.513 ' CD1' HD13 ' B' ' 29' ' ' ILE . 60.5 m-85 -124.23 125.31 44.19 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.973 0.416 . . . . 74.55 111.502 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.0 m -112.98 127.62 56.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.905 -0.589 . . . . 74.41 109.9 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' B' ' 4' ' ' ILE . 1.9 p90 -144.81 151.12 38.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 75.24 111.499 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -103.24 117.35 34.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.873 -0.603 . . . . 73.22 110.858 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mtt -149.94 154.45 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 70.1 111.103 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.73 -28.11 4.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 74.52 112.445 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.658 ' O ' HD12 ' B' ' 56' ' ' LEU . 1.0 OUTLIER -73.92 110.92 10.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.563 0.221 . . . . 63.05 110.845 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.23 -27.04 35.32 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.082 . . . . 52.15 112.393 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -33.29 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -77.47 -44.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.648 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.658 HD12 ' O ' ' B' ' 52' ' ' ASP . 4.5 mp -69.93 -32.07 70.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 53.33 110.145 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.15 -42.46 28.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.714 -0.755 . . . . 72.44 111.891 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -72.48 -29.91 64.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 73.3 110.853 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 63' ' ' VAL . 18.9 tp -62.21 -46.57 88.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.309 -0.405 . . . . 60.14 110.925 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.77 -50.25 74.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 72.13 110.768 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.86 -37.63 82.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 52.41 110.634 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.18 98.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 62.43 110.667 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 59' ' ' LEU . 19.4 t -56.13 -30.77 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 53.41 111.005 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -60.21 -31.86 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.72 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.67 -6.52 52.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.444 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' B' ' 63' ' ' VAL . 21.6 t -77.39 104.18 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.889 0.376 . . . . 74.32 110.724 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.79 120.2 5.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 70.54 110.936 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.599 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.16 -24.08 19.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 74.01 112.752 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 63' ' ' VAL . 99.4 t -78.12 115.13 19.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.886 0.374 . . . . 75.03 110.956 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -52.34 26.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.041 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 71.54 111.156 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.454 HG21 HG11 ' B' ' 63' ' ' VAL . 21.3 t -131.02 139.82 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.962 -0.563 . . . . 72.14 111.079 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -135.44 123.52 22.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.385 -0.37 . . . . 71.41 111.211 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -64.84 113.73 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.666 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 23.6 t . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.32 111.238 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 75.31 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.25 145.48 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 64.2 111.239 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.616 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.77 165.09 11.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.928 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.626 HD11 ' CE2' ' A' ' 48' ' ' PHE . 34.2 mt -140.78 139.84 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.277 -0.42 . . . . 71.33 111.333 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -109.39 104.68 13.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.776 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 72' ' ' VAL . 22.0 t -103.27 112.73 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.205 -0.452 . . . . 64.13 111.265 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.4 mt-10 -92.71 129.96 38.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.49 . . . . 72.24 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.658 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.48 164.46 34.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 73.52 111.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 14' ' ' LEU . 45.6 mt -52.12 144.5 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 53.54 111.055 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.549 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 1.5 t70 -64.09 80.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.144 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -153.51 124.93 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.738 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.907 ' ND1' HD12 ' B' ' 29' ' ' ILE . 70.0 t60 -58.58 -27.62 64.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 72.33 110.827 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -40.58 72.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.983 0.42 . . . . 71.35 110.719 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.886 ' O ' HG23 ' A' ' 18' ' ' VAL . 50.3 mt -63.59 -41.32 98.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 72.12 110.643 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 12' ' ' HIS . 3.7 mm? -61.6 -49.45 76.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.561 . . . . 73.23 110.62 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -60.78 -40.96 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 64.41 110.532 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.4 -41.64 98.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 74.11 110.667 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 14' ' ' LEU . 32.6 t -67.84 -37.13 77.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 63.45 110.853 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -67.21 -38.5 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 72.25 110.546 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.53 -39.22 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 73.3 110.719 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.82 84.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.913 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.853 HD23 HD11 ' A' ' 59' ' ' LEU . 65.3 mt -65.82 -54.69 23.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 75.54 110.844 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.23 73.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.12 111.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.51 -30.72 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.867 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.03 22.56 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.53 111.15 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt 59.81 45.29 12.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 53.02 110.996 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.6 t -104.05 85.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.069 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -64.18 120.6 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -96.35 128.05 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.061 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -75.04 -31.01 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.956 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.32 168.07 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.01 151.51 5.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 42.04 111.32 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 10.9 t -163.65 132.04 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.91 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.522 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.0 p -123.34 141.62 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.556 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 t -136.52 154.06 50.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.032 -0.531 . . . . 73.22 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -63.51 113.3 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.24 111.045 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.587 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.2 t -66.93 -38.52 86.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 63.51 111.045 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 173.93 -104.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.68 -0.771 . . . . 40.34 112.647 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.48 ' O ' HG22 ' A' ' 41' ' ' VAL . 10.2 p-10 -98.69 110.07 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 74.35 111.099 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 53.5 36.1 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.05 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.566 HG23 ' N ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -137.47 142.15 37.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 74.23 110.972 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -135.07 121.78 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.01 111.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.587 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.9 mt -89.82 107.83 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 70.43 110.808 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 133.49 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 73.14 111.22 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -112.24 133.31 54.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.071 -0.513 . . . . 43.44 110.592 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -123.64 125.58 45.06 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.332 -0.395 . . . . 64.33 111.247 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -114.42 120.45 40.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.958 -0.565 . . . . 74.21 110.511 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.4 p90 -150.7 171.14 17.63 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.098 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.53 165.78 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 64.54 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.4 ' CE ' ' CD2' ' A' ' 56' ' ' LEU . 2.0 mtp -109.07 162.32 14.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.211 -0.449 . . . . 73.44 111.097 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.37 -63.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.844 -0.693 . . . . 74.22 112.414 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -106.32 101.05 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.605 0.241 . . . . 72.15 110.98 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 59.7 Cg_exo -51.63 -33.83 50.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.096 . . . . 73.44 112.364 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -67.68 -30.34 69.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 72.32 111.05 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -77.24 -44.32 30.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.624 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 57' ' ' GLY . 4.6 pp -72.32 -29.26 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 75.0 110.044 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.591 ' N ' HD12 ' A' ' 56' ' ' LEU . . . -73.63 -46.6 24.08 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.832 -0.699 . . . . 74.1 111.835 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -71.93 -32.78 67.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.815 0.341 . . . . 71.33 110.634 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 63' ' ' VAL . 29.5 tp -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.53 110.755 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -60.01 -48.28 82.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 71.12 110.795 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -60.95 -40.96 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.632 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.25 99.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 71.12 110.892 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 59' ' ' LEU . 37.5 t -58.23 -29.46 37.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 74.43 110.904 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -27.87 69.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 71.05 110.73 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.39 -1.51 41.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.528 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 63' ' ' VAL . 27.6 t -73.97 104.17 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 120.914 0.387 . . . . 74.54 110.636 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.86 119.93 4.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.087 -0.506 . . . . 74.1 110.735 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -22.65 22.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.24 112.559 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.6 t -87.18 126.88 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.825 0.345 . . . . 72.24 111.143 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.7 -54.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.246 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -166.75 168.97 13.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 73.2 111.097 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.615 HG21 ' CG1' ' A' ' 63' ' ' VAL . 35.7 t -131.19 129.23 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.121 -0.49 . . . . 73.25 111.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -135.55 131.0 35.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.417 -0.356 . . . . 63.23 111.334 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -62.95 126.16 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 75.24 110.729 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.616 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 27.7 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 75.21 111.205 -179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t . . . . . 0 N--CA 1.452 -0.358 0 CA-C-O 120.81 0.338 . . . . 71.32 111.286 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -104.15 153.95 20.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.126 -0.488 . . . . 72.13 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.736 HD11 ' CD2' ' B' ' 56' ' ' LEU . 48.7 mt -139.69 133.41 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.162 -0.472 . . . . 75.25 111.007 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.45 ' HB2' HG23 ' B' ' 75' ' ' VAL . 2.8 mt-30 -107.87 127.46 53.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.156 -0.475 . . . . 65.12 110.9 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -111.55 112.9 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.214 -0.448 . . . . 54.42 111.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.62 139.91 31.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.45 160.62 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 75.53 111.235 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.1 153.76 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.871 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -62.47 113.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.03 111.072 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.658 ' HB2' HD12 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -150.32 176.82 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.53 110.942 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -111.16 -32.73 6.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 73.15 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -27.16 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 73.14 111.028 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' B' ' 11' ' ' ARG . 20.5 mt -54.01 -39.08 65.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 70.11 111.027 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.5 -53.68 55.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.337 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.32 -34.42 72.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 63.11 110.259 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.55 -45.06 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 73.14 110.488 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 14' ' ' LEU . 38.7 t -65.65 -42.5 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 75.1 110.596 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.666 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.0 -38.21 90.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 41.42 110.393 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -42.83 85.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 75.32 110.78 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.25 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 70.35 110.836 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.565 HD13 HD11 ' B' ' 29' ' ' ILE . 6.6 mt -72.97 -30.79 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.715 -0.675 . . . . 75.11 110.538 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.92 62.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.985 -0.552 . . . . 75.2 111.184 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -33.98 55.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.342 -0.39 . . . . 74.53 110.826 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.48 18.47 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 73.12 110.992 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.91 28.62 2.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 75.5 111.17 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.13 93.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 53.34 110.591 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.81 100.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.34 110.682 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.907 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.1 mt -84.48 130.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 75.34 110.426 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' B' ' 47' ' ' THR . 16.8 mt -74.53 -30.47 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.858 0.361 . . . . 74.53 110.27 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m -134.4 131.36 38.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.028 -0.533 . . . . 64.02 110.919 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.76 121.47 20.78 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.005 -0.543 . . . . 74.31 110.31 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 45' ' ' ARG . 37.0 p -158.66 130.17 6.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.767 -0.373 . . . . 63.14 111.706 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.559 ' O ' HG13 ' B' ' 34' ' ' VAL . 7.7 p -131.08 108.52 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.141 -0.481 . . . . 72.43 111.143 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.96 154.13 26.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.082 -0.508 . . . . 74.23 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.33 124.5 36.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.444 ' OG ' HG13 ' B' ' 41' ' ' VAL . 4.0 p -102.04 167.79 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.838 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 46.08 -95.14 0.01 OUTLIER Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.943 -0.646 . . . . 71.54 112.747 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.98 -67.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 74.2 110.897 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -98.45 35.98 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 65.54 110.833 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.444 HG13 ' OG ' ' B' ' 37' ' ' SER . 12.6 p -137.34 136.79 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.015 -0.538 . . . . 72.23 111.304 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.442 ' O ' HD13 ' B' ' 43' ' ' ILE . . . -115.57 149.62 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 44.34 111.026 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.442 HD13 ' O ' ' B' ' 42' ' ' ALA . 19.0 mm -130.12 123.32 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.253 -0.431 . . . . 62.24 111.491 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.07 147.61 29.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 61.43 110.456 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' B' ' 33' ' ' SER . 10.6 ttm-85 -134.97 117.26 15.6 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.344 -0.389 . . . . 75.41 110.355 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' B' ' 29' ' ' ILE . 78.6 m-85 -126.11 125.22 42.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.079 0.466 . . . . 74.55 111.434 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' LEU . 25.5 m -113.28 119.38 37.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.754 -0.657 . . . . 74.41 109.752 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -137.78 146.84 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 75.24 111.504 -179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.423 ' HB2' HD11 ' B' ' 30' ' ' LEU . 2.3 tt0 -88.78 114.52 25.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.95 -0.568 . . . . 73.22 110.843 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 92.3 mtp -149.85 159.64 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 70.1 111.029 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.01 -44.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 74.52 112.449 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.88 109.44 1.99 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.612 0.244 . . . . 63.05 110.872 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.53 -17.39 48.14 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.526 2.15 . . . . 52.15 112.578 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.83 -43.9 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 73.14 111.178 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -77.49 -44.39 28.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.742 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.736 ' CD2' HD11 ' B' ' 4' ' ' ILE . 0.4 OUTLIER -69.25 -32.8 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.416 . . . . 53.33 110.085 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.43 -41.78 29.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.711 -0.757 . . . . 72.44 111.8 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -29.68 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 73.3 110.817 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.866 ' O ' HG23 ' B' ' 63' ' ' VAL . 12.8 tp -61.66 -44.91 96.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.962 0.411 . . . . 60.14 110.928 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 56' ' ' LEU . 0.4 OUTLIER -59.82 -51.63 68.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.863 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.0 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 52.41 110.704 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.21 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.674 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.9 t -56.5 -33.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.951 -0.568 . . . . 53.41 111.132 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -60.41 -29.17 68.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.764 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -74.88 -12.18 60.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.415 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.0 t -74.28 104.05 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.902 0.382 . . . . 74.32 110.764 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -50.42 120.48 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 70.54 110.895 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.13 19.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 74.01 112.703 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.709 HG11 HG12 ' B' ' 63' ' ' VAL . 58.7 t -75.51 117.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.859 0.361 . . . . 75.03 110.825 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -54.2 14.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 75.41 111.022 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -166.83 169.04 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 71.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.48 HG21 ' HB ' ' B' ' 63' ' ' VAL . 22.0 t -128.06 138.94 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.135 -0.484 . . . . 72.14 111.006 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.42 132.59 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 71.41 111.298 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -70.32 109.23 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.718 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.717 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 86.9 t . . . . . 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 70.32 111.22 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.815 0.34 . . . . 75.31 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.35 149.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 116.206 -0.452 . . . . 64.2 111.141 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.679 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -108.21 164.35 12.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.787 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 3' ' ' ALA . 20.8 mm -139.99 131.79 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 120.993 0.425 . . . . 71.33 111.56 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.07 114.3 28.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.86 -0.609 . . . . 71.15 110.046 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -113.53 112.64 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.846 0.355 . . . . 64.13 111.703 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.59 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.1 mt-10 -89.27 130.47 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.432 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.41 168.75 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 73.52 111.501 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.31 145.57 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 53.54 111.066 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.5 80.61 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 71.14 111.253 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -153.43 141.42 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.719 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.857 ' ND1' HD12 ' B' ' 29' ' ' ILE . 55.2 t60 -68.31 -26.02 65.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 72.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -55.72 -34.3 65.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 71.35 110.769 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.5 mm? -64.83 -47.19 78.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 72.12 110.629 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 4.0 mm? -59.34 -50.71 72.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 73.23 110.673 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 p -60.71 -37.45 81.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.851 -0.613 . . . . 64.41 110.572 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.79 -43.89 82.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.508 . . . . 74.11 110.698 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.4 t -68.42 -37.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 63.45 110.709 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.551 HG21 HD22 ' B' ' 15' ' ' LEU . 16.7 m -68.8 -36.62 78.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 72.25 110.415 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -62.82 -37.56 87.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 73.3 110.636 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.58 85.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.016 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 HG12 ' A' ' 29' ' ' ILE . 72.8 mt -65.15 -51.15 62.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 75.54 110.821 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.76 76.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.961 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.99 -30.67 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.871 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.14 18.43 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.53 111.178 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 57.17 38.47 28.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.348 . . . . 53.02 111.113 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 t -91.18 128.65 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.016 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -89.06 118.82 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.02 110.982 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 22' ' ' LEU . 3.3 mt -96.31 137.2 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 73.12 111.103 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 30' ' ' LEU . 8.1 mt -89.74 -37.1 14.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.918 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.749 ' CB ' HG22 ' B' ' 35' ' ' THR . 4.4 m -163.91 163.55 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.51 111.159 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -161.87 139.96 9.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.239 -0.437 . . . . 42.04 111.245 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.414 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 1.1 m -163.79 143.24 8.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.13 -0.486 . . . . 71.53 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.452 HG11 HD21 ' A' ' 15' ' ' LEU . 14.9 p -130.94 139.51 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.934 0.397 . . . . 74.4 111.344 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.3 p -136.69 154.04 50.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.965 -0.561 . . . . 73.22 110.857 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.3 p -59.83 121.42 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.896 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 t -77.68 -34.2 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.51 110.836 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.82 -85.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.914 -0.66 . . . . 40.34 112.255 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.29 -77.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 74.35 110.547 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.56 33.4 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.1 0.476 . . . . 74.31 110.256 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.46 147.25 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.607 -0.724 . . . . 74.23 111.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.9 124.61 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.01 111.053 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 43' ' ' ILE . 3.3 tt -91.16 123.41 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.284 -0.416 . . . . 70.43 111.074 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.577 ' OG ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.09 147.53 24.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.829 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -143.84 122.75 12.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 43.44 110.48 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 14.4 p90 -141.77 140.16 32.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.082 0.467 . . . . 64.33 111.485 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.6 m -105.58 134.54 48.53 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.793 -0.64 . . . . 74.21 110.446 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 129.92 12.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.329 -0.396 . . . . 74.22 111.13 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.79 132.7 34.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 64.54 110.951 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.9 mmt -149.91 165.17 33.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 73.44 110.99 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.56 -38.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.495 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.53 111.58 10.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.584 0.23 . . . . 72.15 110.842 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.19 -27.8 34.73 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.41 2.073 . . . . 73.44 112.366 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -38.52 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.937 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.558 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -77.65 -39.21 45.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 71.35 110.697 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -34.91 68.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.214 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.8 -38.79 30.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.662 -0.78 . . . . 74.1 111.848 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -77.18 -27.76 53.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 71.33 110.882 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -59.83 -44.13 94.2 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.01 0.434 . . . . 71.53 110.879 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.408 HD11 ' HE ' ' A' ' 74' ' ' ARG . 44.1 mt -59.6 -50.98 71.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.934 -0.575 . . . . 71.12 110.84 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -60.92 -35.63 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 75.44 110.698 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.09 92.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.73 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 59' ' ' LEU . 18.1 t -56.4 -32.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.91 -0.586 . . . . 74.43 111.114 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -30.05 69.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 71.05 110.778 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.61 -5.49 50.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.225 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.9 t -73.98 104.06 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.881 0.372 . . . . 74.54 110.781 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -50.43 120.3 4.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.805 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -22.07 23.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 72.24 112.473 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.4 t -87.81 129.97 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.91 0.386 . . . . 72.24 111.091 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -56.49 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 63.24 111.312 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -166.72 169.19 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 73.2 111.21 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.703 HG21 ' HB ' ' A' ' 63' ' ' VAL . 21.6 t -123.26 139.63 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 73.25 111.469 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.34 122.69 21.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.328 -0.396 . . . . 63.23 111.189 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HE ' HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -64.62 110.45 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 75.24 111.035 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.501 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 1.7 t . . . . . 0 N--CA 1.452 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.968 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.629 HG11 ' HD3' ' B' ' 74' ' ' ARG . 23.6 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.738 0.304 . . . . 71.32 111.202 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.632 ' HB3' ' C ' ' B' ' 75' ' ' VAL . . . -106.43 156.22 18.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.069 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' B' ' 48' ' ' PHE . 3.1 mp -140.93 131.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.306 -0.407 . . . . 75.25 111.46 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HG3' HG21 ' B' ' 75' ' ' VAL . 0.8 OUTLIER -105.06 114.86 29.31 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.2 -0.454 . . . . 65.12 110.708 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.78 112.91 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.366 -0.379 . . . . 54.42 111.346 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.595 ' O ' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -96.5 130.41 43.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.781 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.806 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -156.71 151.73 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 75.53 111.182 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.619 ' O ' HD12 ' B' ' 14' ' ' LEU . 47.4 mt -57.13 143.4 38.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.988 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.51 93.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -127.33 179.31 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -101.01 -30.07 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.41 18.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.806 HD13 ' HB1' ' B' ' 8' ' ' ALA . 9.8 mt -57.12 -43.81 82.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.35 -0.386 . . . . 70.11 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.577 ' CG ' HG11 ' B' ' 34' ' ' VAL . 1.1 tt -60.75 -54.13 48.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 73.21 110.666 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -60.06 -32.02 70.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 63.11 110.637 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.3 -43.78 80.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 73.14 110.682 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 14' ' ' LEU . 33.6 t -65.38 -45.1 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.74 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.428 ' CG2' ' CE1' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -69.67 -39.17 77.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.801 -0.636 . . . . 41.42 110.099 179.412 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.703 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.45 77.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 70.35 110.653 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.33 -33.33 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.751 -0.658 . . . . 75.11 110.596 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.4 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 75.2 111.125 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.03 -38.6 68.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 74.53 110.871 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.62 18.73 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.12 110.95 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt 54.33 24.65 5.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.331 -0.395 . . . . 75.5 111.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.91 91.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 53.34 110.586 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -63.96 100.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 74.34 111.06 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.857 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -89.46 131.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 75.34 110.172 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.6 mt -74.39 -25.02 59.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 74.53 110.699 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.1 t -137.79 136.09 36.9 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.103 -0.499 . . . . 64.02 110.616 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.602 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -141.51 121.5 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 74.31 110.285 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 86.6 p -160.13 129.8 5.23 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.039 0.447 . . . . 63.14 111.794 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.577 HG11 ' CG ' ' B' ' 15' ' ' LEU . 9.3 p -131.19 119.8 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.941 -0.572 . . . . 72.43 111.065 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.749 HG22 ' CB ' ' A' ' 31' ' ' SER . 16.4 p -136.5 153.99 50.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.033 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 19.1 p -77.62 140.77 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.931 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 t -132.57 97.53 4.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.905 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.07 -116.23 5.2 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.773 -0.727 . . . . 71.54 112.523 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -137.77 113.15 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 74.2 110.927 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 63.04 40.96 8.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 65.54 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 t -137.19 112.71 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.094 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.21 115.8 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 44.34 111.143 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.512 HD13 ' HG3' ' B' ' 7' ' ' GLU . 20.7 mm -99.38 113.16 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.116 -0.493 . . . . 62.24 111.241 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.41 150.08 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.778 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -137.62 129.49 28.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.302 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.57 ' HB3' HG21 ' B' ' 29' ' ' ILE . 88.6 m-85 -139.77 125.45 19.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.002 0.43 . . . . 74.55 111.588 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.445 ' O ' ' N ' ' B' ' 30' ' ' LEU . 92.8 m -117.59 115.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.893 -0.594 . . . . 74.41 110.013 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' B' ' 4' ' ' ILE . 2.7 p90 -130.97 168.42 17.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.959 0.409 . . . . 75.24 111.754 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.4 112.04 17.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.825 -0.625 . . . . 73.22 110.958 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 10.4 ttp -149.93 149.04 29.83 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.389 . . . . 70.1 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.48 -39.06 3.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 74.52 112.483 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' B' ' 55' ' ' HIS . 0.5 OUTLIER -60.43 110.4 2.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.565 0.222 . . . . 63.05 110.836 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' B' ' 56' ' ' LEU . 67.6 Cg_endo -73.82 -28.67 11.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.502 2.135 . . . . 52.15 112.472 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.36 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.19 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.427 ' CD2' ' HB3' ' B' ' 52' ' ' ASP . 15.0 m-70 -77.15 -44.38 30.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.525 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' N ' ' B' ' 57' ' ' GLY . 4.2 pp -74.7 -33.39 62.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 53.33 109.884 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . 0.462 ' N ' HD12 ' B' ' 56' ' ' LEU . . . -74.3 -34.39 54.85 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.623 -0.799 . . . . 72.44 111.474 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.11 -44.51 53.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.838 0.351 . . . . 73.3 110.963 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.893 ' O ' HG23 ' B' ' 63' ' ' VAL . 3.8 pp -66.48 -38.97 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 60.14 110.601 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.767 ' N ' HD12 ' B' ' 59' ' ' LEU . 2.4 mt -59.53 -52.08 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 72.13 110.407 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -62.39 -37.4 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 52.41 110.242 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.7 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 62.43 110.659 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.893 HG23 ' O ' ' B' ' 59' ' ' LEU . 38.4 t -55.91 -35.2 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 53.41 111.15 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -58.84 -28.61 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -77.92 -5.03 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 73.03 111.488 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 63' ' ' VAL . 30.2 t -72.94 104.16 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.857 0.361 . . . . 74.32 110.603 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.519 ' O ' HD21 ' B' ' 14' ' ' LEU . 7.1 pt-20 -49.78 120.11 4.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 70.54 110.867 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.416 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.2 -24.25 18.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.845 -0.693 . . . . 74.01 112.706 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.595 HG13 ' O ' ' B' ' 7' ' ' GLU . 55.4 t -80.61 122.67 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.851 0.358 . . . . 75.03 110.862 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -60.63 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.907 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.79 169.13 13.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.833 -0.621 . . . . 71.54 110.972 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -126.59 140.77 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.193 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -135.27 126.74 28.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.41 111.171 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.629 ' HD3' HG11 ' B' ' 2' ' ' VAL . 2.1 mtt180 -69.81 109.24 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.894 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.632 ' C ' ' HB3' ' B' ' 3' ' ' ALA . 1.7 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 70.32 110.807 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.917 0.389 . . . . 75.31 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.568 HG11 ' HD2' ' A' ' 74' ' ' ARG . 21.8 t -82.25 149.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 64.2 111.174 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -110.69 165.35 11.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.968 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 48' ' ' PHE . 29.0 mt -142.68 131.97 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.892 0.377 . . . . 71.33 111.391 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.679 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.3 mt-30 -105.38 106.38 16.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.149 -0.478 . . . . 71.15 110.621 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 72' ' ' VAL . 24.7 t -102.62 112.72 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.355 -0.384 . . . . 64.13 111.391 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.529 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -88.59 125.2 34.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 72.24 110.449 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.858 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.4 159.56 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 73.52 111.316 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 14' ' ' LEU . 64.7 mt -50.34 146.45 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 53.54 110.968 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.698 ' OD2' HG22 ' A' ' 36' ' ' THR . 12.4 m-20 -66.24 76.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 111.162 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -142.23 122.44 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.727 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.817 ' ND1' HD12 ' B' ' 29' ' ' ILE . 29.1 t60 -58.55 -28.1 65.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 72.33 110.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.29 67.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 71.35 110.697 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 18' ' ' VAL . 90.4 mt -66.91 -45.65 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 72.12 110.685 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.7 mm? -61.68 -47.29 85.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.986 -0.552 . . . . 73.23 110.576 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -62.17 -40.24 95.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.866 -0.606 . . . . 64.41 110.503 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 74.11 110.557 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.2 t -67.73 -37.27 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 63.45 110.816 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.438 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.8 m -67.05 -38.88 86.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 72.25 110.441 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -61.32 -40.63 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 73.3 110.634 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.38 85.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 74.43 110.944 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.69 HD13 HD11 ' A' ' 29' ' ' ILE . 50.8 mt -65.5 -51.84 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.832 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.989 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.78 -30.55 71.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 72.31 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -98.79 15.29 25.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.183 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt 58.22 48.49 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 53.02 110.953 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 25' ' ' GLU . 21.5 t -104.31 110.31 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.082 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.63 115.39 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 63.02 110.874 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 22' ' ' LEU . 4.8 mt -96.16 129.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.12 111.064 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.15 -33.39 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 72.1 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -173.25 171.55 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 72.51 110.939 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.77 147.98 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 42.04 111.184 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -163.65 131.46 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 43' ' ' ILE . 13.7 p -130.73 138.39 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.4 111.305 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 p -136.65 153.98 50.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.916 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.698 HG22 ' OD2' ' A' ' 10' ' ' ASP . 40.3 p -78.6 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.961 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -81.14 -28.94 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.973 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.604 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -162.61 -134.57 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.664 -0.779 . . . . 40.34 112.66 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.19 117.36 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 74.35 110.972 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 54.3 34.88 21.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.31 111.002 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.604 HG23 ' H ' ' A' ' 38' ' ' GLY . 16.1 m -137.43 107.64 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.806 -0.634 . . . . 74.23 110.993 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.613 ' HB2' ' OD2' ' A' ' 10' ' ' ASP . . . -110.92 121.46 45.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.01 111.346 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.529 ' C ' HG23 ' A' ' 34' ' ' VAL . 16.6 mm -89.83 110.9 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.05 -0.523 . . . . 70.43 110.902 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -98.04 138.43 35.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.125 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 117.19 26.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.972 -0.558 . . . . 43.44 110.49 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.18 125.47 52.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.367 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -110.79 118.07 35.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.976 -0.556 . . . . 74.21 110.589 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -150.74 169.42 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 74.22 111.118 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.71 160.36 17.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 64.54 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.13 160.64 15.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.231 -0.441 . . . . 73.44 110.969 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.92 -54.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.656 -0.783 . . . . 74.22 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.42 100.34 29.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.572 0.225 . . . . 72.15 110.983 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.78 -32.28 55.19 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.43 2.086 . . . . 73.44 112.369 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -64.49 -34.66 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 72.32 110.969 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.464 ' O ' HD12 ' A' ' 59' ' ' LEU . 31.0 m80 -77.51 -42.83 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.668 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.767 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.7 tt -72.62 -32.7 66.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.165 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.08 -43.7 32.28 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.709 -0.758 . . . . 74.1 111.876 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 71.33 110.7 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.868 ' O ' HG23 ' A' ' 63' ' ' VAL . 7.5 mt -63.52 -46.95 83.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 71.53 110.828 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 56' ' ' LEU . 3.6 mm? -58.03 -49.87 75.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 71.12 110.795 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -39.11 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.638 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.71 95.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 71.12 110.708 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.7 t -57.35 -30.57 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.986 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -60.84 -28.76 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 71.05 110.839 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -83.18 2.8 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.517 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -80.97 104.2 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 120.875 0.369 . . . . 74.54 110.793 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.93 120.46 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.499 . . . . 74.1 110.631 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.31 -21.93 23.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 72.24 112.655 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.5 t -86.59 123.1 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.24 111.168 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.55 -56.04 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.286 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -165.93 169.17 15.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.989 -0.551 . . . . 73.2 111.092 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.618 HG21 HG11 ' A' ' 63' ' ' VAL . 22.8 t -129.72 138.43 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.139 -0.482 . . . . 73.25 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -135.53 126.54 27.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.26 -0.427 . . . . 63.23 111.142 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.568 ' HD2' HG11 ' A' ' 2' ' ' VAL . 22.3 ttp180 -64.33 110.56 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 75.24 110.785 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.679 HG21 ' HG3' ' A' ' 5' ' ' GLN . 34.7 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 75.21 111.239 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.647 HG11 ' HD2' ' B' ' 74' ' ' ARG . 29.1 t . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.914 0.388 . . . . 71.32 111.169 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.768 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -100.73 153.01 19.8 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.95 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.768 HD13 ' O ' ' B' ' 3' ' ' ALA . 16.3 mm -133.31 131.93 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.296 -0.411 . . . . 75.25 111.411 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -106.06 104.88 14.69 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.61 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.55 113.05 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.29 -0.413 . . . . 54.42 111.552 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.613 ' O ' HG13 ' B' ' 69' ' ' VAL . 18.4 tt0 -95.52 139.23 32.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.093 -0.503 . . . . 75.13 110.8 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -159.32 163.1 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 75.53 111.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.704 ' O ' HD12 ' B' ' 14' ' ' LEU . 3.1 mt -59.4 144.27 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.909 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.7 88.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -138.78 143.3 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 62.53 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.59 ' HA ' HD12 ' B' ' 15' ' ' LEU . 20.3 p-80 -68.21 -29.89 68.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 73.15 111.014 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.4 ' HG2' ' CD2' ' B' ' 12' ' ' HIS . 3.0 mmt180 -80.16 -37.65 32.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 73.14 111.003 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.704 HD12 ' O ' ' B' ' 9' ' ' LEU . 23.0 mt -57.3 -39.67 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.846 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.655 ' CD2' HG21 ' B' ' 34' ' ' VAL . 5.3 mt -59.89 -56.36 22.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 73.21 110.339 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.56 -30.04 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 63.11 110.182 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.7 -48.08 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.394 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 14' ' ' LEU . 29.4 t -64.95 -41.35 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.569 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.646 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.33 -39.79 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 41.42 110.259 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -68.97 -37.88 79.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.634 . . . . 75.32 110.738 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.81 77.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -84.68 -30.13 25.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 75.11 110.834 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -36.59 76.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 75.2 111.442 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -57.32 -25.16 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.073 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.82 9.85 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 73.12 111.142 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 55.14 23.73 5.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.768 0.318 . . . . 75.5 111.116 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.18 93.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 53.34 110.696 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -64.07 100.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.817 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.9 mt -89.35 128.25 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.418 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' B' ' 49' ' ' GLU . 2.8 mt -74.46 -28.82 61.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 74.53 110.304 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -132.98 131.4 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.026 -0.534 . . . . 64.02 110.729 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.41 121.56 17.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.305 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.46 133.71 7.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.974 0.416 . . . . 63.14 111.889 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.655 HG21 ' CD2' ' B' ' 15' ' ' LEU . 9.2 p -131.21 123.44 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 72.43 110.969 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -136.59 153.99 50.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.061 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -72.6 134.58 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 73.42 110.951 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.57 -47.18 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 74.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.745 ' H ' HG23 ' B' ' 41' ' ' VAL . . . -155.33 -103.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.672 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.05 115.55 29.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 74.2 111.108 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 53.87 36.7 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 65.54 111.205 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.745 HG23 ' H ' ' B' ' 38' ' ' GLY . 0.2 OUTLIER -137.4 107.57 5.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 72.23 111.091 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.11 127.25 47.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 44.34 111.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.408 HD13 ' HG3' ' B' ' 7' ' ' GLU . 20.8 mm -103.88 122.33 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 62.24 111.425 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.57 148.49 25.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 61.43 110.567 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -134.95 121.75 20.93 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.431 -0.35 . . . . 75.41 110.604 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.62 ' CD2' HD13 ' B' ' 29' ' ' ILE . 74.1 m-85 -129.37 125.26 36.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.021 0.438 . . . . 74.55 111.344 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.472 ' O ' ' N ' ' B' ' 30' ' ' LEU . 68.4 m -115.23 119.83 37.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.855 -0.611 . . . . 74.41 110.047 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -136.11 151.34 49.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.88 0.372 . . . . 75.24 111.572 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' B' ' 30' ' ' LEU . 1.7 tm-20 -102.64 111.96 24.5 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.907 -0.588 . . . . 73.22 110.871 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 20.8 mtt -149.91 165.85 31.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 70.1 111.041 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.68 -42.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 74.52 112.505 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.571 ' O ' HD12 ' B' ' 56' ' ' LEU . 2.2 m-20 -55.81 107.22 0.82 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.582 0.23 . . . . 63.05 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.98 -26.49 74.08 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.584 2.19 . . . . 52.15 112.327 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -33.38 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 73.14 111.034 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.758 ' O ' HD13 ' B' ' 59' ' ' LEU . 1.1 m80 -77.45 -44.5 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 74.11 110.721 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.571 HD12 ' O ' ' B' ' 52' ' ' ASP . 5.2 mp -71.28 -32.82 69.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.939 0.4 . . . . 53.33 110.157 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.93 -40.05 31.58 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.751 -0.737 . . . . 72.44 111.831 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 73.3 110.803 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.843 ' O ' HG23 ' B' ' 63' ' ' VAL . 3.9 mp -62.71 -47.23 84.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.331 -0.395 . . . . 60.14 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -46.47 89.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.76 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -61.94 -39.02 90.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 52.41 110.718 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -44.74 88.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 62.43 110.651 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 59' ' ' LEU . 38.8 t -57.08 -32.01 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 53.41 110.965 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.73 -28.95 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.719 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -82.04 1.18 37.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.259 -0.428 . . . . 73.03 111.526 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.4 t -81.51 104.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.981 0.42 . . . . 74.32 110.73 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.5 120.69 6.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 70.54 110.809 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.16 19.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.713 . . . . 74.01 112.777 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.613 HG13 ' O ' ' B' ' 7' ' ' GLU . 61.9 t -79.11 123.08 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 120.863 0.363 . . . . 75.03 110.764 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.66 -59.61 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 75.41 111.048 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -166.7 169.15 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.942 -0.572 . . . . 71.54 111.133 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.94 135.07 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.956 -0.565 . . . . 72.14 111.13 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.3 125.34 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 71.41 111.355 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.647 ' HD2' HG11 ' B' ' 2' ' ' VAL . 8.0 ttp180 -65.77 117.29 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.514 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.556 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 11.1 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 70.32 111.2 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 1' ' ' LEU . 2.5 pp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.854 0.359 . . . . 75.31 111.232 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.22 146.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.238 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.43 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.61 163.44 13.46 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.999 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 48' ' ' PHE . 23.9 mt -144.27 132.31 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.934 0.397 . . . . 71.33 111.552 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.549 ' HG3' HG21 ' A' ' 75' ' ' VAL . 1.8 mt-30 -107.15 105.68 15.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.048 -0.524 . . . . 71.15 110.536 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.531 HG13 HG22 ' A' ' 72' ' ' VAL . 21.8 t -102.61 112.65 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.258 -0.428 . . . . 64.13 111.291 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.7 tt0 -89.54 128.54 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.642 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.662 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.35 165.0 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.985 0.421 . . . . 73.52 111.443 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 14' ' ' LEU . 68.0 mt -51.94 144.32 11.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 53.54 111.053 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -63.94 83.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.14 111.098 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -153.51 127.56 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.852 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.878 ' ND1' HD12 ' B' ' 29' ' ' ILE . 60.9 t60 -60.11 -28.93 68.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 72.33 110.877 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.526 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 0.2 OUTLIER -56.2 -38.01 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 71.35 110.824 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.4 mt -62.39 -41.28 98.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 72.12 110.827 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.6 mm? -61.55 -47.78 84.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 73.23 110.586 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.46 ' HB2' HG22 ' B' ' 19' ' ' THR . 37.6 t -61.47 -41.04 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.867 -0.606 . . . . 64.41 110.546 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.76 -41.53 99.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.723 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 14' ' ' LEU . 28.5 t -66.74 -39.68 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 63.45 110.826 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.443 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.9 m -66.14 -38.62 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 72.25 110.506 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.48 -42.04 99.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 73.3 110.647 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.44 87.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.955 -0.566 . . . . 74.43 110.87 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 27' ' ' VAL . 31.8 mt -66.98 -49.81 64.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.809 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.961 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.78 -30.47 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.833 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.38 22.43 14.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.53 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? 58.78 41.56 21.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 53.02 111.016 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 22' ' ' LEU . 27.5 t -94.02 128.48 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.136 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.21 112.45 25.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.846 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.47 135.23 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.144 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -85.51 -34.64 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.922 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 t -173.21 162.92 4.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 72.51 111.077 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 45' ' ' ARG . . . -168.13 154.71 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 42.04 111.01 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.2 t -163.61 130.63 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 71.53 110.91 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.639 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.6 p -112.88 136.99 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.455 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 p -136.63 154.04 50.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.084 -0.507 . . . . 73.22 110.783 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -58.23 121.75 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 71.24 110.985 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.486 ' HB3' HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -80.57 -36.94 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 63.51 110.807 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.93 -89.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.853 -0.689 . . . . 40.34 112.295 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.23 -78.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 74.35 110.638 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 33.05 2.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.108 0.48 . . . . 74.31 110.172 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 37' ' ' SER . 11.6 p -137.46 141.17 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.651 -0.704 . . . . 74.23 111.233 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.63 123.66 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.075 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.639 ' C ' HG23 ' A' ' 34' ' ' VAL . 6.5 tp -89.99 120.41 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.269 -0.423 . . . . 70.43 111.131 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -98.1 125.26 43.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.884 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.503 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -97.14 148.29 23.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.155 -0.475 . . . . 43.44 110.595 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -145.32 149.69 35.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.996 0.427 . . . . 64.33 111.187 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' HD13 ' A' ' 1' ' ' LEU . 93.2 m -145.55 122.86 11.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 74.21 110.537 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.73 131.99 14.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.334 -0.394 . . . . 74.22 111.213 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.9 115.84 26.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.836 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.99 165.78 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.923 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.76 -40.64 0.9 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 74.22 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 4.1 m-20 -58.04 109.84 2.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.529 0.205 . . . . 72.15 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.76 -15.96 18.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.437 2.091 . . . . 73.44 112.721 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -43.81 97.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.379 . . . . 72.32 111.118 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.412 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 13.9 p80 -77.77 -34.12 52.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.732 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.536 HD13 ' HZ ' ' A' ' 48' ' ' PHE . 53.4 tp -73.51 -36.05 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 75.0 110.144 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.0 29.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.722 -0.752 . . . . 74.1 111.756 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -80.39 -24.3 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.721 0.296 . . . . 71.33 110.979 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.906 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 mt -57.31 -44.87 84.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.86 0.362 . . . . 71.53 110.967 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.96 -49.73 76.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.042 -0.527 . . . . 71.12 110.961 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.44 -37.37 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 75.44 110.717 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.28 74.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.754 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -58.05 -29.73 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 74.43 110.768 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.1 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 71.05 110.514 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -78.37 -3.91 45.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 74.2 111.321 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.5 t -76.96 104.13 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 120.836 0.351 . . . . 74.54 110.827 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.36 121.23 5.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 74.1 110.644 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -23.34 21.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.657 -0.782 . . . . 72.24 112.49 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 8' ' ' ALA . 44.0 t -86.11 125.21 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.838 0.351 . . . . 72.24 111.05 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -73.63 -54.72 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.24 111.28 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -166.71 169.21 13.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 73.2 111.065 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 6' ' ' VAL . 21.9 t -131.19 137.93 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.315 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -135.46 124.26 23.94 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.229 -0.442 . . . . 63.23 110.984 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.71 110.28 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.699 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' A' ' 5' ' ' GLN . 33.9 t . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.261 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.6 t . . . . . 0 N--CA 1.453 -0.28 0 CA-C-O 120.902 0.382 . . . . 71.32 111.168 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -95.78 152.31 18.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 72.13 111.172 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.4 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 25.1 mt -133.42 136.48 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 75.25 111.424 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HB2' HG23 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -110.21 113.02 25.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.817 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -102.63 112.8 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.294 -0.412 . . . . 54.42 111.323 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.604 ' O ' HG13 ' B' ' 69' ' ' VAL . 1.9 mt-10 -91.86 137.42 32.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.824 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.45 145.32 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 75.53 111.161 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.494 HD11 HD11 ' B' ' 14' ' ' LEU . 3.4 pp -59.44 147.56 36.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.89 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.69 110.88 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.941 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.43 148.82 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.53 110.903 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -88.46 60.19 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.876 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -177.79 -39.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 73.14 110.897 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 18' ' ' VAL . 81.4 mt -56.76 -38.91 73.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.477 . . . . 70.11 110.905 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.78 ' CD2' HG21 ' B' ' 34' ' ' VAL . 5.2 mt -60.54 -51.42 69.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.095 -0.502 . . . . 73.21 110.579 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -60.45 -35.94 77.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.768 -0.651 . . . . 63.11 110.405 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -43.63 94.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 73.14 110.568 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 14' ' ' LEU . 38.7 t -64.03 -46.12 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 75.1 110.614 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 16' ' ' SER . 0.2 OUTLIER -67.48 -41.38 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 41.42 110.247 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -36.04 74.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.601 . . . . 75.32 110.727 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 70.35 110.704 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -72.41 -34.3 67.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.804 -0.635 . . . . 75.11 110.561 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' HG2' ' A' ' 13' ' ' ARG . . . -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.047 -0.524 . . . . 75.2 111.146 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.38 -37.71 62.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.923 0.392 . . . . 74.53 110.939 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -99.3 22.27 10.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.855 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 25.41 6.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 75.5 111.292 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.86 88.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 53.34 110.428 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -63.88 100.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 74.34 111.131 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.878 HD12 ' ND1' ' A' ' 12' ' ' HIS . 7.5 mt -88.11 138.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.62 . . . . 75.34 110.121 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 47' ' ' THR . 5.6 mt -74.53 -23.18 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 74.53 111.03 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.48 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -150.22 137.86 19.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.88 0.371 . . . . 64.02 110.916 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.472 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -137.34 121.59 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 74.31 110.355 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 73.7 p -157.98 140.12 14.24 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.876 0.37 . . . . 63.14 111.766 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.78 HG21 ' CD2' ' B' ' 15' ' ' LEU . 11.5 p -131.14 131.86 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.047 -0.524 . . . . 72.43 111.094 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -136.55 147.56 47.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.31 -0.404 . . . . 74.23 110.983 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -69.66 137.15 51.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.951 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.787 ' OG ' HD11 ' B' ' 43' ' ' ILE . 3.0 t -76.73 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.925 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.6 -94.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.769 . . . . 71.54 112.466 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.481 ' O ' HG23 ' B' ' 41' ' ' VAL . 5.3 t0 -111.18 110.96 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 74.2 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 60.17 40.94 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.949 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.7 t -137.21 139.16 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.155 -0.475 . . . . 72.23 111.205 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -122.3 143.86 49.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 44.34 111.125 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.787 HD11 ' OG ' ' B' ' 37' ' ' SER . 26.8 mt -130.2 117.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.177 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.2 OUTLIER -98.14 152.05 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.744 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' SER . 12.7 mtm-85 -140.69 122.05 14.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.279 -0.419 . . . . 75.41 110.355 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.669 ' HB3' HG21 ' B' ' 29' ' ' ILE . 74.8 m-85 -127.7 125.32 39.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.964 0.411 . . . . 74.55 111.577 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.441 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.9 m -111.55 115.02 28.48 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.902 -0.59 . . . . 74.41 109.753 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.645 ' HB3' HG23 ' B' ' 29' ' ' ILE . 2.7 p90 -139.39 171.93 13.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 75.24 111.472 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.89 165.88 14.95 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.871 -0.604 . . . . 73.22 110.616 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.401 ' CG ' ' CD1' ' B' ' 56' ' ' LEU . 3.0 ttp -108.8 161.06 15.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.007 0.432 . . . . 70.1 111.512 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.31 -61.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.8 -0.636 . . . . 74.52 112.111 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.49 103.06 44.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.482 0.182 . . . . 63.05 110.57 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.57 -27.9 82.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.448 2.099 . . . . 52.15 112.463 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.24 -34.38 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 73.14 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -44.38 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 74.11 110.624 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.401 ' CD1' ' CG ' ' B' ' 50' ' ' MET . 4.1 mt -70.06 -32.34 70.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 53.33 110.059 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.43 -44.35 34.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.715 -0.755 . . . . 72.44 111.721 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -31.36 59.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 73.3 110.752 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 63' ' ' VAL . 16.4 mt -64.3 -47.57 78.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.268 -0.423 . . . . 60.14 111.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -49.21 77.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 72.13 110.791 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -61.98 -39.66 92.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 52.41 110.555 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.18 91.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 62.43 110.701 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.3 t -56.69 -31.87 36.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.937 -0.574 . . . . 53.41 111.055 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.36 -29.61 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.826 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -82.46 2.0 34.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.03 111.663 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' B' ' 63' ' ' VAL . 22.4 t -81.79 104.15 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.849 0.357 . . . . 74.32 110.773 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -54.07 119.63 5.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.037 -0.529 . . . . 70.54 110.989 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.17 19.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 74.01 112.735 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.604 HG13 ' O ' ' B' ' 7' ' ' GLU . 45.3 t -81.02 124.3 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.773 0.321 . . . . 75.03 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -62.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.911 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.77 169.07 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.032 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' B' ' 63' ' ' VAL . 21.7 t -120.95 128.69 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.984 -0.553 . . . . 72.14 111.085 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.3 130.18 34.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.346 -0.388 . . . . 71.41 111.156 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.06 123.76 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 73.22 110.85 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.436 HG23 ' HB2' ' B' ' 5' ' ' GLN . 75.9 t . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 70.32 111.183 -179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.926 0.393 . . . . 75.31 111.215 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.29 141.87 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.2 111.194 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.499 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -98.21 152.43 19.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.088 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.668 HD11 ' CE2' ' A' ' 48' ' ' PHE . 23.5 mt -130.79 132.11 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.421 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -109.37 104.75 13.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.571 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 72' ' ' VAL . 25.3 t -104.83 112.82 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.266 -0.424 . . . . 64.13 111.311 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.573 ' O ' HG13 ' A' ' 69' ' ' VAL . 1.1 mt-10 -89.98 130.58 36.16 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.108 -0.497 . . . . 72.24 110.663 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.42 165.24 33.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.339 -0.391 . . . . 73.52 111.17 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 40' ' ' ARG . 6.1 mt -52.84 145.08 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 53.54 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -62.57 83.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.132 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -153.5 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.787 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.858 ' ND1' HD12 ' B' ' 29' ' ' ILE . 59.7 t60 -60.66 -26.63 67.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 72.33 110.734 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -56.75 -40.7 76.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 71.35 110.74 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.5 mt -65.79 -43.2 89.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 72.12 110.745 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 44' ' ' SER . 3.6 mm? -61.13 -49.17 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.538 . . . . 73.23 110.578 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 64.41 110.487 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.64 -41.02 96.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.045 -0.525 . . . . 74.11 110.538 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 14' ' ' LEU . 32.7 t -68.12 -37.73 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 63.45 110.778 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -66.19 -38.21 87.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 72.25 110.482 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.14 -40.32 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 73.3 110.636 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.86 92.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 74.43 110.83 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.506 HD23 HD21 ' A' ' 59' ' ' LEU . 87.5 mt -65.57 -47.92 74.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 75.54 110.752 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.09 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -31.73 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.562 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -101.79 20.83 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.53 111.187 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm 57.92 30.6 19.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 53.02 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 25' ' ' GLU . 30.9 t -79.79 96.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.02 111.05 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.14 110.22 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.934 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -89.22 129.24 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 49' ' ' GLU . 13.2 mt -83.71 -38.13 21.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.693 ' HB3' HG22 ' B' ' 35' ' ' THR . 3.9 m -173.17 170.92 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.06 155.21 8.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 42.04 111.217 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.63 134.83 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.776 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.497 HG23 ' C ' ' A' ' 43' ' ' ILE . 13.5 p -122.97 139.66 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.0 0.429 . . . . 74.4 111.649 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -136.7 132.97 35.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.831 -0.622 . . . . 73.22 110.742 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.4 108.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.24 111.05 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.784 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -59.95 -68.8 0.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 63.51 110.802 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.746 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -113.44 -91.93 1.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.864 -0.684 . . . . 40.34 112.456 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -76.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 74.35 110.802 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.429 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -96.59 33.11 1.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.054 0.454 . . . . 74.31 110.487 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.746 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.8 m -137.46 122.29 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.745 -0.662 . . . . 74.23 111.237 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.81 125.59 46.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 74.01 111.263 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.784 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.7 mt -89.85 109.53 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 70.43 110.819 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.481 ' HB3' HD11 ' A' ' 15' ' ' LEU . 60.3 p -101.46 123.89 46.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 73.14 111.29 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -99.96 151.04 21.79 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.026 -0.534 . . . . 43.44 110.623 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -145.76 125.47 13.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.928 0.394 . . . . 64.33 111.177 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -111.8 126.4 55.03 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.044 -0.525 . . . . 74.21 110.681 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.6 p90 -150.65 138.47 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 74.22 111.116 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.4 tt0 -88.8 112.67 23.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.144 -0.48 . . . . 64.54 110.936 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.8 mmt -150.01 164.29 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 73.44 110.979 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.23 17.07 4.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.74 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.7 m-20 -106.39 120.93 46.98 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.608 0.242 . . . . 72.15 110.806 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.29 -24.2 2.09 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.564 2.176 . . . . 73.44 112.767 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -44.24 79.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.32 111.363 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 5.3 p-80 -77.73 -39.27 44.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.327 -0.397 . . . . 71.35 110.436 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 56' ' ' LEU . 6.9 tt -70.71 -32.73 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 75.0 110.016 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -43.25 29.06 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.81 -0.709 . . . . 74.1 111.689 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -71.68 -30.13 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 71.33 110.72 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.899 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.65 -43.69 85.13 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.867 0.365 . . . . 71.53 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.402 HD23 ' CG1' ' A' ' 72' ' ' VAL . 5.7 mt -57.57 -48.92 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 71.12 110.858 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.76 -41.53 95.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.62 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.08 99.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 71.12 110.8 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 59' ' ' LEU . 33.2 t -57.17 -30.14 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 74.43 110.901 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -60.34 -30.59 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 71.05 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -78.48 -3.52 43.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 74.2 111.445 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.8 t -77.25 104.13 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.853 0.358 . . . . 74.54 110.747 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.475 ' O ' HD21 ' A' ' 14' ' ' LEU . 6.2 pt-20 -53.26 118.88 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.063 -0.517 . . . . 74.1 110.867 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -20.74 25.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.644 -0.789 . . . . 72.24 112.533 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.5 t -88.36 127.45 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 120.846 0.355 . . . . 72.24 111.173 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.2 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 63.24 111.192 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -166.74 169.07 13.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 73.2 111.184 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.56 ' CG2' HG11 ' A' ' 63' ' ' VAL . 21.5 t -121.88 135.39 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.041 -0.527 . . . . 73.25 111.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 128.47 31.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.414 -0.357 . . . . 63.23 111.186 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -69.08 117.39 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.875 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 17.4 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 75.21 111.26 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 t . . . . . 0 N--CA 1.451 -0.383 0 CA-C-O 120.897 0.38 . . . . 71.32 111.182 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.851 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -99.73 154.39 18.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.851 HD13 ' O ' ' B' ' 3' ' ' ALA . 11.4 mm -137.53 131.91 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.254 -0.43 . . . . 75.25 111.366 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.36 107.45 18.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.105 -0.498 . . . . 65.12 110.52 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.65 112.93 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.29 -0.413 . . . . 54.42 111.41 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.605 ' O ' HG13 ' B' ' 69' ' ' VAL . 16.3 mt-10 -95.97 136.58 36.22 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.785 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.31 152.2 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 75.53 111.061 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.44 148.17 29.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.928 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.87 98.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 73.03 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.458 ' HB2' HD12 ' B' ' 14' ' ' LEU . 0.6 OUTLIER -124.27 -169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 62.53 110.94 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -111.68 -29.82 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 73.15 110.993 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -99.6 -25.21 14.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 73.14 111.251 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.684 HD21 ' O ' ' B' ' 67' ' ' GLU . 9.6 mt -54.55 -39.46 67.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.433 -0.349 . . . . 70.11 111.004 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.707 HD22 HG11 ' B' ' 34' ' ' VAL . 24.0 mt -59.27 -55.2 37.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.321 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.19 -31.19 68.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.74 -0.663 . . . . 63.11 110.249 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.36 -46.47 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 73.14 110.272 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 14' ' ' LEU . 25.4 t -64.58 -42.83 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 75.1 110.526 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.681 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.78 -40.98 79.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.601 . . . . 41.42 110.197 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -69.48 -36.54 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 75.32 110.759 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.29 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 70.35 110.71 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 29' ' ' ILE . 40.7 mt -72.41 -30.99 65.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.788 -0.642 . . . . 75.11 110.66 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.48 57.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 75.2 111.069 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.18 -36.93 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 74.53 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.14 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 73.12 110.982 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 25.35 8.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.335 -0.393 . . . . 75.5 111.178 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -59.25 91.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.331 -0.395 . . . . 53.34 110.542 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -63.83 100.33 0.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.971 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.858 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.0 mt -88.27 127.98 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 75.34 110.234 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.418 ' N ' ' O ' ' B' ' 47' ' ' THR . 68.5 mt -74.34 -22.24 59.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 74.53 110.828 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -140.56 134.19 30.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.64 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.68 121.52 16.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.435 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -156.85 128.2 6.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.836 0.351 . . . . 63.14 111.814 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.707 HG11 HD22 ' B' ' 15' ' ' LEU . 9.3 p -131.11 121.58 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.087 -0.506 . . . . 72.43 111.048 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 31' ' ' SER . 81.0 p -136.63 154.02 50.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.283 -0.417 . . . . 74.23 111.164 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -80.18 129.9 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.838 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.429 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -80.16 -26.52 39.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.144 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.65 -114.12 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.705 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.01 117.59 35.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 74.2 111.163 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 52.75 36.25 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 65.54 111.237 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.584 ' O ' HG13 ' B' ' 41' ' ' VAL . 9.1 p -137.59 107.55 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 72.23 111.059 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -104.14 145.72 29.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 44.34 111.152 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.429 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.0 mt -130.11 114.23 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.216 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.78 146.98 25.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.738 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -133.19 120.34 21.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.296 -0.411 . . . . 75.41 110.296 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.574 ' HB3' HG21 ' B' ' 29' ' ' ILE . 90.7 m-85 -129.52 125.36 36.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.959 0.409 . . . . 74.55 111.665 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 80.1 m -116.3 115.1 25.31 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.816 -0.629 . . . . 74.41 109.694 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' B' ' 29' ' ' ILE . 2.9 p90 -136.2 171.25 14.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.104 0.478 . . . . 75.24 111.624 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -88.31 125.53 34.72 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.651 -0.704 . . . . 73.22 110.546 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.696 ' SD ' HD22 ' B' ' 56' ' ' LEU . 2.0 ttp -108.97 157.26 18.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.982 0.42 . . . . 70.1 111.449 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.05 -45.72 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.084 -0.579 . . . . 74.52 112.234 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.43 142.02 24.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.623 0.249 . . . . 63.05 110.71 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -77.6 -26.16 7.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.613 2.209 . . . . 52.15 112.618 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.32 -34.56 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.14 111.318 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -77.41 -44.29 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.839 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.696 HD22 ' SD ' ' B' ' 50' ' ' MET . 6.3 tp -73.6 -31.73 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 53.33 110.241 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.22 -42.34 28.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.732 . . . . 72.44 111.9 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -30.67 57.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.834 0.349 . . . . 73.3 110.867 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.872 ' O ' HG23 ' B' ' 63' ' ' VAL . 11.3 mt -62.85 -47.9 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.423 . . . . 60.14 110.962 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.45 -45.33 94.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 72.13 110.718 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.59 -38.27 89.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 52.41 110.785 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.68 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 62.43 110.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.4 t -57.67 -31.96 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 53.41 110.927 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -61.16 -28.33 69.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.693 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -81.69 1.0 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.467 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 63' ' ' VAL . 22.2 t -79.01 104.17 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 120.85 0.357 . . . . 74.32 110.671 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.684 ' O ' HD21 ' B' ' 14' ' ' LEU . 3.9 tt0 -52.53 120.11 5.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 70.54 110.967 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' B' ' 14' ' ' LEU . . . 110.2 -24.06 19.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.846 -0.692 . . . . 74.01 112.709 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.605 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.5 t -81.32 124.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.776 0.322 . . . . 75.03 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -60.15 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.962 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.78 169.1 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.863 -0.608 . . . . 71.54 110.943 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.47 HG21 ' CG1' ' B' ' 63' ' ' VAL . 23.8 t -129.31 136.06 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.133 -0.485 . . . . 72.14 111.219 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.3 133.14 38.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.275 -0.421 . . . . 71.41 111.168 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -71.94 112.75 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.414 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.4 t . . . . . 0 N--CA 1.452 -0.374 0 CA-C-N 116.221 -0.445 . . . . 70.32 111.235 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.821 0.343 . . . . 75.31 111.207 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.6 t -82.25 145.93 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.156 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.42 162.57 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.25 -0.432 . . . . 74.21 110.989 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 48' ' ' PHE . 26.6 mt -138.46 132.08 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.33 -0.395 . . . . 71.33 111.377 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -106.81 104.73 14.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.979 -0.555 . . . . 71.15 110.539 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.43 112.75 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.257 -0.429 . . . . 64.13 111.299 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.568 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.2 tt0 -90.59 129.18 36.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.655 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.645 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.35 166.03 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.381 . . . . 73.52 111.321 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 14' ' ' LEU . 7.0 mt -51.16 143.33 11.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.54 111.095 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.622 ' OD2' HG23 ' A' ' 36' ' ' THR . 3.1 m-20 -62.77 82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 71.14 111.122 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.61 121.84 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.794 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.842 ' ND1' HD12 ' B' ' 29' ' ' ILE . 44.6 t60 -60.23 -19.69 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 72.33 110.852 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.69 81.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.904 0.383 . . . . 71.35 110.565 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.2 mt -65.96 -61.05 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 72.12 110.648 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' B' ' 32' ' ' ALA . 0.0 OUTLIER -51.61 -36.49 46.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 73.23 110.739 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 p -65.83 -50.16 65.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 64.41 110.379 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.0 -38.72 83.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 74.11 110.611 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 14' ' ' LEU . 22.6 t -67.29 -39.51 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 63.45 110.775 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.72 HG21 HD22 ' B' ' 15' ' ' LEU . 72.4 m -64.62 -41.13 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 72.25 110.461 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -60.24 -42.38 95.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.89 -0.595 . . . . 73.3 110.663 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.84 91.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 74.43 110.874 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 27' ' ' VAL . 77.6 mt -64.98 -52.28 57.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.731 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.09 73.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.968 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.36 -29.8 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.867 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -101.7 20.55 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 72.53 111.085 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt 60.38 40.43 17.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 53.02 111.006 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 22' ' ' LEU . 24.3 t -92.45 93.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.102 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -65.11 113.57 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.02 110.929 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -92.91 125.13 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 49' ' ' GLU . 55.7 mt -75.64 -37.86 59.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 72.1 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 171.54 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 72.51 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.84 155.72 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 42.04 111.148 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -163.58 128.91 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 71.53 110.744 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' HB3' ' B' ' 32' ' ' ALA . 13.7 p -115.87 141.41 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.977 0.418 . . . . 74.4 111.652 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -136.69 149.0 47.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.951 -0.568 . . . . 73.22 110.715 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.622 HG23 ' OD2' ' A' ' 10' ' ' ASP . 5.4 m -69.61 109.5 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.042 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.752 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.958 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 -86.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 40.34 112.376 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.77 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 74.35 110.746 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -96.98 32.62 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 74.31 110.357 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 37' ' ' SER . 3.2 m -137.54 130.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.65 -0.704 . . . . 74.23 111.186 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -128.68 123.63 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.01 111.228 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.752 HD11 ' OG ' ' A' ' 37' ' ' SER . 8.6 mt -89.77 109.74 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 70.43 110.846 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 1.1 t -98.06 123.86 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 73.14 111.27 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' CD2' ' A' ' 46' ' ' PHE . 2.8 mpt_? -99.8 148.14 24.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.085 -0.507 . . . . 43.44 110.635 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 21.5 m-85 -146.88 125.54 12.55 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.957 0.408 . . . . 64.33 111.322 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -114.1 121.11 42.79 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.957 -0.565 . . . . 74.21 110.551 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -150.87 140.74 21.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.904 0.383 . . . . 74.22 111.272 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.566 ' HB2' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -88.82 125.39 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 64.54 110.843 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.777 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -149.97 165.84 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.44 111.056 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.92 -43.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.83 -0.7 . . . . 74.22 112.429 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.46 121.07 45.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.54 0.209 . . . . 72.15 110.833 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.52 -31.12 9.2 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.411 2.074 . . . . 73.44 112.39 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -64.32 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.917 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -77.56 -44.27 29.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.66 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 50' ' ' MET . 6.9 mt -69.96 -33.87 72.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 75.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.07 -40.45 34.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.685 -0.769 . . . . 74.1 111.759 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.69 -31.03 64.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 71.33 110.859 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.887 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.3 mp -62.24 -46.77 87.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.961 0.41 . . . . 71.53 110.913 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -49.28 77.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 71.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -60.96 -39.19 88.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.743 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 71.12 110.853 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 59' ' ' LEU . 16.1 t -57.49 -29.94 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.017 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -61.34 -29.12 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 71.05 110.867 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -81.87 0.83 37.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.414 . . . . 74.2 111.541 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -79.01 104.21 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 120.901 0.381 . . . . 74.54 110.789 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.28 120.46 6.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 74.1 110.565 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -21.19 24.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 72.24 112.583 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.9 t -87.18 128.14 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 120.778 0.323 . . . . 72.24 111.073 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -77.68 -54.4 6.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 63.24 111.281 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -166.68 169.15 13.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 73.2 111.093 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.403 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.2 t -125.07 138.61 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.465 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -135.52 126.39 27.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.149 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 120.95 14.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.9 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 57.8 t . . . . . 0 N--CA 1.452 -0.362 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.302 -179.832 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.492 HG11 HD11 ' B' ' 56' ' ' LEU . 22.2 t . . . . . 0 N--CA 1.452 -0.335 0 CA-C-O 120.894 0.378 . . . . 71.32 111.205 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -102.32 163.39 12.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.056 -0.52 . . . . 72.13 110.997 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' B' ' 48' ' ' PHE . 28.8 mt -140.58 131.95 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.29 -0.413 . . . . 75.25 111.546 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -108.52 106.22 16.21 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.005 -0.543 . . . . 65.12 110.585 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.408 HG13 HG22 ' B' ' 72' ' ' VAL . 28.5 t -102.45 113.87 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.309 -0.405 . . . . 54.42 111.552 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.648 ' HB3' HD12 ' B' ' 43' ' ' ILE . 2.4 pt-20 -101.8 124.53 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 75.13 110.604 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -145.34 166.19 26.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.53 111.297 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.432 ' O ' HD23 ' B' ' 14' ' ' LEU . 76.0 mt -59.13 138.24 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -60.73 96.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 73.03 110.927 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.59 167.57 19.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 62.53 110.799 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -86.59 -64.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.926 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -26.91 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' B' ' 8' ' ' ALA . 11.4 tp -54.85 -40.16 69.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.276 -0.42 . . . . 70.11 110.935 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.72 HD22 HG21 ' A' ' 19' ' ' THR . 1.7 tt -59.03 -53.91 53.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.529 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -58.69 -34.2 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 63.11 110.378 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.2 -45.83 89.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 73.14 110.387 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 14' ' ' LEU . 23.7 t -63.37 -44.52 99.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 75.1 110.567 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.641 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.75 -41.09 88.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.635 . . . . 41.42 110.321 179.485 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -68.49 -37.5 80.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 75.32 110.786 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.56 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 70.35 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' B' ' 46' ' ' PHE . 78.8 mt -71.39 -32.5 68.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.821 -0.627 . . . . 75.11 110.641 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.13 -25.85 58.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.043 -0.526 . . . . 75.2 111.154 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -37.42 59.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.945 0.402 . . . . 74.53 110.94 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.34 19.62 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 73.12 110.946 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.07 27.13 7.18 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.29 -0.414 . . . . 75.5 111.19 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.45 92.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 53.34 110.549 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -63.88 100.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.856 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.842 HD12 ' ND1' ' A' ' 12' ' ' HIS . 6.6 mt -87.73 129.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 75.34 110.549 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' B' ' 47' ' ' THR . 78.5 mt -74.58 -31.84 62.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 74.53 109.908 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.425 ' O ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -132.97 131.18 40.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.801 -0.636 . . . . 64.02 110.381 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.542 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . -138.73 122.0 17.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.559 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.9 p -159.65 135.48 8.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.933 0.397 . . . . 63.14 111.65 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.449 ' O ' HG13 ' B' ' 34' ' ' VAL . 12.2 p -131.13 122.8 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.067 -0.515 . . . . 72.43 111.087 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 11.3 t -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.0 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 21.0 p -61.65 134.52 56.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.93 -35.45 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.896 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.31 -80.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.834 -0.698 . . . . 71.54 112.334 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -135.51 -71.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 74.2 110.682 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -98.67 34.13 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.035 0.445 . . . . 65.54 110.369 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.49 138.98 44.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.681 . . . . 72.23 111.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.31 121.82 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 44.34 111.03 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' B' ' 7' ' ' GLU . 0.7 OUTLIER -105.23 131.43 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.285 -0.416 . . . . 62.24 111.238 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.84 154.78 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 61.43 110.658 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.03 117.55 14.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.313 -0.403 . . . . 75.41 110.461 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.546 ' CD2' HD13 ' B' ' 29' ' ' ILE . 56.8 m-85 -124.05 125.38 44.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.26 -0.427 . . . . 74.55 111.507 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.484 ' O ' ' N ' ' B' ' 30' ' ' LEU . 39.0 m -113.17 115.3 28.03 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.909 -0.587 . . . . 74.41 110.046 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.461 ' CE1' HD11 ' B' ' 4' ' ' ILE . 4.5 p90 -132.96 148.99 52.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.944 0.402 . . . . 75.24 111.519 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -95.02 111.98 23.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.788 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 165.73 31.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 70.1 111.089 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.99 15.19 3.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 74.52 112.702 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.65 99.14 23.39 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.578 0.228 . . . . 63.05 110.867 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.16 -25.83 31.1 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.463 2.109 . . . . 52.15 112.43 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' B' ' 58' ' ' HIS . 0.6 OUTLIER -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 73.14 111.093 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.494 ' O ' HD12 ' B' ' 59' ' ' LEU . 65.6 m80 -77.53 -44.2 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.685 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.677 ' O ' HD23 ' B' ' 56' ' ' LEU . 4.3 tt -72.18 -32.27 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.197 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.51 -41.65 29.37 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.733 -0.746 . . . . 72.44 111.851 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' B' ' 54' ' ' LYS . 12.8 m-70 -74.95 -30.77 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 110.75 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.823 ' O ' HG23 ' B' ' 63' ' ' VAL . 4.2 mt -64.54 -49.22 72.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 60.14 110.8 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -49.82 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.931 -0.577 . . . . 72.13 110.727 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -61.94 -33.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 52.41 110.585 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.28 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.43 110.738 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 59' ' ' LEU . 16.7 t -56.05 -32.16 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.938 -0.573 . . . . 53.41 111.125 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -60.1 -31.34 69.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.735 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -77.06 -7.94 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.03 111.421 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' B' ' 63' ' ' VAL . 19.9 t -76.65 104.17 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 120.851 0.358 . . . . 74.32 110.763 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.97 120.76 5.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.539 . . . . 70.54 110.849 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -24.05 19.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 74.01 112.714 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.726 HG11 HG12 ' B' ' 63' ' ' VAL . 70.3 t -80.4 121.95 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.859 0.361 . . . . 75.03 110.959 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.86 -59.04 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 75.41 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.88 169.06 13.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 71.54 111.186 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' B' ' 63' ' ' VAL . 21.8 t -131.5 140.0 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.887 -0.597 . . . . 72.14 111.092 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -135.25 122.98 22.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.296 -0.411 . . . . 71.41 111.199 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -65.38 110.12 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.803 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.489 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.6 t . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.199 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 30' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.834 0.35 . . . . 75.31 111.083 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -82.35 139.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 64.2 111.118 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.639 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -104.63 157.45 17.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.992 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 3' ' ' ALA . 22.4 mm -136.89 131.97 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.27 -0.423 . . . . 71.33 111.399 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.52 114.42 28.52 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.017 -0.538 . . . . 71.15 110.354 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.39 112.87 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.833 0.349 . . . . 64.13 111.705 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -95.99 107.92 20.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.526 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -139.17 169.04 18.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.844 0.354 . . . . 73.52 111.467 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 40' ' ' ARG . 35.2 tp -54.83 153.7 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 53.54 111.045 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.695 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 21.7 p-10 -66.57 79.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 71.14 111.246 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.57 133.92 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.639 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.748 ' HB2' HD12 ' B' ' 29' ' ' ILE . 0.5 OUTLIER -68.02 -13.33 62.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.306 . . . . 72.33 111.187 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -29.36 65.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 71.35 110.831 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.655 ' HG ' ' HB1' ' A' ' 8' ' ' ALA . 3.8 mm? -65.51 -60.27 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 72.12 110.804 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -57.0 -37.26 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.605 . . . . 73.23 110.698 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.45 ' HB3' HG22 ' B' ' 19' ' ' THR . 6.6 p -67.13 -41.0 86.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.529 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 74.11 110.563 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.6 t -67.64 -38.24 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 63.45 110.679 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.808 ' HA ' HD12 ' A' ' 22' ' ' LEU . 75.7 m -65.81 -37.39 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.547 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -60.5 -40.49 91.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.982 -0.554 . . . . 73.3 110.679 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.4 88.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 19' ' ' THR . 12.8 mt -65.04 -48.71 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 75.54 110.826 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.09 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 73.12 111.105 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.31 -30.89 68.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.31 110.935 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -102.88 21.68 15.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.164 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.94 39.14 29.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.039 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.41 107.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 63.02 111.111 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.29 126.81 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 63.02 110.966 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.31 131.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.177 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.914 ' HB2' HG23 ' A' ' 47' ' ' THR . 70.5 mt -75.14 -36.66 61.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.873 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -171.12 164.87 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.51 111.039 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -159.51 146.84 16.95 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.267 -0.424 . . . . 42.04 111.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -163.59 138.63 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 71.53 110.852 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.535 HG11 HD22 ' A' ' 15' ' ' LEU . 14.2 p -130.94 143.12 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.423 -0.353 . . . . 74.4 111.421 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -136.76 154.03 50.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.22 110.877 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 p -75.89 114.06 14.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 71.24 111.092 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.759 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.09 -38.45 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 63.51 111.253 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.33 74.59 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.493 -0.86 . . . . 40.34 112.928 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 63.17 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 74.35 111.593 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -92.56 31.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 74.31 111.232 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 37' ' ' SER . 11.6 t -137.82 139.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 74.23 110.957 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -134.71 115.76 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 74.01 111.418 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.759 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.5 mt -89.93 109.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 70.43 110.707 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.81 141.67 30.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.839 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -143.84 121.96 12.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.099 -0.501 . . . . 43.44 110.459 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 18.7 p90 -143.47 139.13 29.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.983 0.421 . . . . 64.33 111.629 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.914 HG23 ' HB2' ' A' ' 30' ' ' LEU . 10.0 t -106.46 137.86 43.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.864 -0.607 . . . . 74.21 110.595 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.93 169.67 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 74.22 111.061 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.73 165.7 14.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.87 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.48 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -149.95 165.76 31.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.976 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.86 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.558 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' HD23 ' A' ' 56' ' ' LEU . 7.0 m-20 -100.86 147.15 33.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 72.15 110.907 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.49 -27.78 10.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.534 2.156 . . . . 73.44 112.434 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -62.17 -36.58 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -43.23 33.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 71.35 110.613 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 50' ' ' MET . 4.1 mm? -69.32 -33.99 73.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 75.0 110.093 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.05 -40.96 33.49 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.705 -0.76 . . . . 74.1 111.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -74.07 -32.57 63.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 71.33 110.681 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.9 tp -63.33 -47.57 81.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.822 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -47.15 86.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 71.12 110.768 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -62.35 -38.04 88.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.44 110.637 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.28 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.783 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 59' ' ' LEU . 16.7 t -57.51 -31.77 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.042 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -62.08 -27.7 69.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.05 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -80.57 -0.99 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 74.2 111.477 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 63' ' ' VAL . 24.4 t -75.81 104.16 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.926 0.393 . . . . 74.54 110.695 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.53 ' O ' HD11 ' A' ' 14' ' ' LEU . 2.1 tp10 -51.63 119.98 4.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 74.1 110.832 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.589 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.13 -23.3 21.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.587 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 8' ' ' ALA . 44.2 t -85.52 117.53 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.861 0.362 . . . . 72.24 111.098 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.05 -50.83 37.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.031 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.73 168.88 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 73.2 111.219 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.629 HG21 HG11 ' A' ' 63' ' ' VAL . 23.5 t -131.53 140.21 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 73.25 111.035 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -135.41 122.25 21.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.362 -0.381 . . . . 63.23 111.217 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.51 111.21 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.863 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 16.9 t . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 75.21 111.167 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.453 -0.285 0 CA-C-O 120.736 0.303 . . . . 71.32 111.279 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -126.59 157.53 38.62 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.937 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.65 HD11 ' HE2' ' B' ' 48' ' ' PHE . 9.3 mt -132.87 132.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 75.25 111.431 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.72 104.73 13.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.168 -0.469 . . . . 65.12 110.501 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.457 HG13 HG22 ' B' ' 72' ' ' VAL . 21.4 t -102.83 112.91 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 120.868 0.365 . . . . 54.42 111.648 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 69' ' ' VAL . 37.4 tt0 -93.43 134.16 35.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.546 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.767 ' HB1' HD23 ' B' ' 14' ' ' LEU . . . -159.27 160.25 35.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 75.53 111.39 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.89 153.73 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 73.32 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -70.11 65.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.072 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -112.98 129.62 56.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 62.53 110.944 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -28.31 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 73.15 111.028 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -29.5 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.938 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.767 HD23 ' HB1' ' B' ' 8' ' ' ALA . 1.8 mp -59.16 -51.53 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 70.11 110.943 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.4 HD13 HG21 ' B' ' 34' ' ' VAL . 50.5 tp -56.44 -49.51 74.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 73.21 110.565 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -61.66 -35.08 76.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.608 . . . . 63.11 110.217 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.671 ' OD2' HG13 ' B' ' 66' ' ' VAL . 5.4 t0 -62.3 -44.7 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.298 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 14' ' ' LEU . 41.9 t -63.8 -51.87 64.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 75.1 110.592 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 16' ' ' SER . 0.2 OUTLIER -62.35 -32.58 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 41.42 110.142 179.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -45.89 74.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.056 -0.52 . . . . 75.32 110.551 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.49 -43.99 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 70.35 110.453 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.719 HD23 HD11 ' B' ' 59' ' ' LEU . 17.3 mt -77.14 -27.59 53.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 75.11 110.329 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.14 75.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 75.2 110.941 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.66 -30.71 22.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.809 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' B' ' 55' ' ' HIS . 5.7 mm-40 -111.07 -13.35 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.972 -0.558 . . . . 73.12 110.985 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt 67.08 38.79 3.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.877 0.37 . . . . 75.5 110.998 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.495 HG11 ' CE1' ' B' ' 48' ' ' PHE . 32.0 t -60.92 107.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 53.34 110.493 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.87 102.04 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.104 0.478 . . . . 74.34 110.829 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.748 HD12 ' HB2' ' A' ' 12' ' ' HIS . 7.2 mt -85.48 133.21 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.662 -0.699 . . . . 75.34 110.308 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 30' ' ' LEU . 28.3 mt -74.44 -25.2 59.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 74.53 110.686 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.468 ' H ' HG22 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -150.91 131.4 13.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.633 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.491 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . -136.21 121.57 19.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.51 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -157.41 142.71 17.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.926 0.393 . . . . 63.14 111.648 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.0 p -131.16 136.91 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.084 -0.507 . . . . 72.43 111.252 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.3 p -136.62 153.75 50.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.119 -0.492 . . . . 74.23 110.932 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.9 p -78.84 123.65 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.42 110.941 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.788 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -64.58 -67.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.976 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.66 -99.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 71.54 112.542 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.521 ' O ' HG23 ' B' ' 41' ' ' VAL . 2.9 t70 -105.84 110.32 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 74.2 110.928 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.77 39.53 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.6 t -137.18 136.66 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.172 -0.467 . . . . 72.23 111.17 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.13 144.04 50.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 44.34 111.15 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.788 HD11 ' OG ' ' B' ' 37' ' ' SER . 25.8 mt -130.06 113.85 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.258 -0.428 . . . . 62.24 111.275 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 5.1 p -97.96 147.67 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.43 110.714 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -133.78 121.07 21.33 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.327 -0.397 . . . . 75.41 110.345 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.462 ' HB3' HG21 ' B' ' 29' ' ' ILE . 63.2 m-85 -125.06 125.25 43.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.986 0.422 . . . . 74.55 111.53 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 55.9 m -112.47 115.21 28.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.888 -0.596 . . . . 74.41 109.7 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.65 ' HE2' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -147.53 162.09 39.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.096 0.474 . . . . 75.24 111.784 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 152.05 22.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.708 -0.678 . . . . 73.22 110.526 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.566 ' HE1' ' HB3' ' B' ' 55' ' ' HIS . 0.4 OUTLIER -149.96 148.38 29.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.929 0.395 . . . . 70.1 111.26 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.33 -36.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.806 -0.711 . . . . 74.52 112.346 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.39 128.53 28.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.536 0.208 . . . . 63.05 110.823 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.93 -12.54 21.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.509 2.14 . . . . 52.15 112.632 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.01 -43.32 79.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 73.14 111.112 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.566 ' HB3' ' HE1' ' B' ' 50' ' ' MET . 3.1 t-160 -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.576 ' O ' HD23 ' B' ' 56' ' ' LEU . 1.3 tt -71.72 -32.43 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 53.33 110.281 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.55 -39.94 28.72 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.674 -0.774 . . . . 72.44 111.928 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -78.26 -29.36 48.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.729 0.299 . . . . 73.3 110.878 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 63' ' ' VAL . 64.0 tp -64.48 -46.29 83.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.903 0.382 . . . . 60.14 110.916 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.426 HD13 HD23 ' B' ' 56' ' ' LEU . 3.8 mp -58.98 -51.25 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.962 -0.563 . . . . 72.13 110.727 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.39 -37.08 82.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 52.41 110.593 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.09 96.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 62.43 110.683 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.4 t -56.22 -32.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 53.41 111.099 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -59.67 -30.43 68.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.813 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -75.03 -7.15 52.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 73.03 111.368 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.671 HG13 ' OD2' ' B' ' 17' ' ' ASP . 27.4 t -74.98 104.17 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 120.832 0.348 . . . . 74.32 110.632 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -51.19 120.09 4.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.057 -0.52 . . . . 70.54 110.89 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.402 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.2 -24.16 19.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 74.01 112.777 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' B' ' 8' ' ' ALA . 60.7 t -80.85 121.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 75.03 111.01 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -68.65 -58.53 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.066 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.86 169.07 13.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 71.54 111.132 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.457 HG22 HG13 ' B' ' 6' ' ' VAL . 21.4 t -127.29 131.73 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.056 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.41 124.22 23.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.329 -0.396 . . . . 71.41 111.042 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.56 121.8 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.824 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.553 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 8.0 t . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 70.32 111.176 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 1' ' ' LEU . 7.5 tt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.881 0.372 . . . . 75.31 111.181 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 t -82.3 138.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 64.2 111.248 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -105.6 160.93 14.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.961 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 48' ' ' PHE . 20.8 mt -135.86 132.03 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.332 -0.395 . . . . 71.33 111.494 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -106.35 104.81 14.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.545 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.443 HG13 HG22 ' A' ' 72' ' ' VAL . 21.2 t -105.01 112.74 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.376 -0.374 . . . . 64.13 111.548 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.38 126.45 38.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.447 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.832 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -156.5 167.61 29.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.389 . . . . 73.52 111.602 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.872 HD13 ' O ' ' A' ' 40' ' ' ARG . 4.0 mm? -55.17 153.72 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 53.54 111.061 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.37 81.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 71.14 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -149.49 125.89 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.799 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' B' ' 26' ' ' LYS . 0.3 OUTLIER -58.84 -27.67 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.404 -0.362 . . . . 72.33 111.073 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.257 -0.429 . . . . 71.35 111.09 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.832 HD13 ' HB1' ' A' ' 8' ' ' ALA . 68.0 mt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.827 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.7 mm? -62.92 -41.62 99.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.542 . . . . 73.23 110.607 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -65.7 -38.35 88.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.887 -0.597 . . . . 64.41 110.509 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -42.73 88.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.642 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 14' ' ' LEU . 31.2 t -66.22 -41.28 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 63.45 110.89 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 m -67.13 -37.31 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 72.25 110.619 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -65.39 -38.38 89.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 73.3 110.791 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.6 98.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 74.43 110.966 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 27' ' ' VAL . 71.5 mt -67.64 -46.78 71.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.882 -0.599 . . . . 75.54 110.867 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.74 -28.7 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.119 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.49 -31.12 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 72.31 110.949 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.493 ' HB3' HG23 ' A' ' 27' ' ' VAL . 3.3 tt0 -106.22 25.69 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 72.53 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.55 30.57 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 53.02 111.102 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 25' ' ' GLU . 26.3 t -79.22 96.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.09 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 117.1 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 63.02 110.913 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.83 130.77 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.025 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -40.55 59.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.743 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.935 ' CB ' HG22 ' B' ' 35' ' ' THR . 1.7 p -173.2 164.94 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.507 . . . . 72.51 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.37 150.84 12.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 42.04 111.271 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 24.4 p -163.76 138.62 6.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 71.53 110.824 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.781 HG23 ' C ' ' A' ' 43' ' ' ILE . 11.7 p -130.95 141.14 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.392 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 145.41 51.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.838 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 36' ' ' THR . 8.9 t -66.52 106.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.24 111.037 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.785 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -58.17 -37.69 75.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 63.51 110.949 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.671 ' N ' HG23 ' A' ' 41' ' ' VAL . . . -178.69 -113.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.644 -0.789 . . . . 40.34 112.6 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.6 p-10 -91.75 113.26 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 74.35 111.058 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.872 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER 53.07 35.15 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.05 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.671 HG23 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -137.53 128.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 74.23 111.046 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.66 119.74 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.01 111.202 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.785 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.8 mt -89.72 113.12 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 70.43 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.585 ' N ' HG23 ' A' ' 34' ' ' VAL . 3.1 t -97.99 137.61 36.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 73.14 110.96 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -123.41 120.38 32.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 43.44 110.492 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.95 156.69 19.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.943 0.401 . . . . 64.33 111.366 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.581 HG23 HD21 ' A' ' 1' ' ' LEU . 35.2 m -140.47 116.64 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 74.21 110.463 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.3 p90 -150.73 132.44 14.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.064 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.85 116.0 26.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.179 -0.464 . . . . 64.54 110.918 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.2 mmt -149.97 165.85 31.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.985 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.75 -47.46 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.491 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 1.3 m-20 -57.78 110.19 2.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.611 0.244 . . . . 72.15 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 82.7 Cg_endo -77.81 -0.86 11.05 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.421 2.081 . . . . 73.44 112.896 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -76.49 -41.43 47.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 72.32 111.451 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 30.8 p80 -77.32 -44.39 29.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 71.35 110.932 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 53' ' ' PRO . 3.5 pp -73.77 -28.65 61.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.984 0.421 . . . . 75.0 110.089 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.64 -46.61 18.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.766 -0.73 . . . . 74.1 111.798 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.2 -30.9 62.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.791 0.329 . . . . 71.33 110.658 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.1 mt -59.34 -39.24 82.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.758 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.429 HD22 ' HD2' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -58.74 -51.3 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 71.12 110.697 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -61.42 -39.75 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.442 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.53 87.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 71.12 110.653 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 59' ' ' LEU . 39.8 t -56.06 -30.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 74.43 110.835 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -58.38 -32.96 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 71.05 110.726 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -9.37 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 74.2 111.276 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 63' ' ' VAL . 22.0 t -74.18 104.1 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.85 0.357 . . . . 74.54 110.714 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.61 120.19 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 74.1 110.819 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -23.35 21.2 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.783 -0.722 . . . . 72.24 112.485 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.744 HG11 HG12 ' A' ' 63' ' ' VAL . 52.0 t -85.54 119.01 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.847 0.356 . . . . 72.24 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -72.01 -53.23 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 63.24 111.142 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -166.73 169.17 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.134 -0.485 . . . . 73.2 111.245 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 63' ' ' VAL . 22.0 t -130.55 136.33 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.092 -0.504 . . . . 73.25 111.243 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -135.39 124.31 24.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.316 -0.402 . . . . 63.23 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HD2' HD22 ' A' ' 60' ' ' LEU . 3.9 mpp_? -65.39 114.41 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.823 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.6 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.21 111.31 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 36.0 t . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.85 0.357 . . . . 71.32 111.177 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.838 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -102.43 156.99 17.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.219 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.838 HD13 ' O ' ' B' ' 3' ' ' ALA . 16.3 mm -137.48 132.18 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.213 -0.449 . . . . 75.25 111.274 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.63 108.87 20.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.588 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -102.56 112.88 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.273 -0.421 . . . . 54.42 111.355 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.525 ' O ' HG13 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -96.5 137.76 35.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.698 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.49 163.01 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 75.53 111.205 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.67 ' O ' HD12 ' B' ' 14' ' ' LEU . 6.2 tp -59.27 150.88 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.836 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.34 104.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 73.03 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.404 ' O ' HD13 ' B' ' 15' ' ' LEU . 0.6 OUTLIER -149.95 155.93 40.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 62.53 110.848 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.445 ' CE1' ' HD3' ' B' ' 13' ' ' ARG . 16.9 p80 -87.81 -27.88 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 73.15 111.038 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.445 ' HD3' ' CE1' ' B' ' 12' ' ' HIS . 0.0 OUTLIER -86.24 -28.63 23.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 73.14 111.068 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.67 HD12 ' O ' ' B' ' 9' ' ' LEU . 14.2 mt -55.22 -38.29 68.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 70.11 110.95 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.561 ' HG ' HG21 ' B' ' 34' ' ' VAL . 8.4 mp -59.09 -52.25 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.319 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t -60.07 -35.14 74.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 63.11 110.175 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.1 -45.15 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 73.14 110.436 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 14' ' ' LEU . 43.6 t -63.19 -50.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 75.1 110.508 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -32.03 71.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 41.42 110.177 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -65.38 -47.88 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.935 -0.575 . . . . 75.32 110.533 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.46 69.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.595 . . . . 70.35 110.476 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.43 HD13 HD11 ' B' ' 29' ' ' ILE . 52.1 mt -75.43 -30.32 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.741 -0.663 . . . . 75.11 110.318 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.19 72.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.014 -0.539 . . . . 75.2 111.044 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.3 -35.81 29.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.073 0.464 . . . . 74.53 110.577 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.26 -18.4 14.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 73.12 110.592 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 69.63 41.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 75.5 111.071 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.457 ' N ' ' CE1' ' A' ' 12' ' ' HIS . 35.5 t -67.2 109.2 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 53.34 109.997 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -63.83 100.43 0.3 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 74.34 111.147 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' B' ' 46' ' ' PHE . 6.8 mt -87.44 128.66 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.701 -0.681 . . . . 75.34 109.906 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 3.3 mt -74.45 -22.25 59.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.506 -0.315 . . . . 74.53 110.967 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -146.08 133.13 20.31 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.343 -0.39 . . . . 64.02 110.92 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.498 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -133.59 121.57 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 74.31 110.094 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 54.5 p -155.91 129.49 8.38 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.661 -0.416 . . . . 63.14 111.942 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.561 HG21 ' HG ' ' B' ' 15' ' ' LEU . 7.1 p -131.18 128.94 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.023 -0.535 . . . . 72.43 111.057 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.935 HG22 ' CB ' ' A' ' 31' ' ' SER . 33.0 p -136.68 154.01 50.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.941 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.6 p -76.78 117.96 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.971 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.618 ' OG ' HD11 ' B' ' 43' ' ' ILE . 2.9 t -59.51 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.036 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.654 ' N ' HG23 ' B' ' 41' ' ' VAL . . . -179.47 -113.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 71.54 112.704 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.581 ' O ' HG22 ' B' ' 41' ' ' VAL . 16.2 m-20 -86.38 111.6 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 74.2 111.062 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 50.53 36.74 14.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 65.54 111.231 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.654 HG23 ' N ' ' B' ' 38' ' ' GLY . 0.1 OUTLIER -137.44 124.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 72.23 111.179 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.99 144.21 49.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 44.34 110.977 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.618 HD11 ' OG ' ' B' ' 37' ' ' SER . 16.4 mt -130.11 135.57 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.325 -0.398 . . . . 62.24 111.515 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.71 154.18 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 61.43 110.338 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.548 ' HD3' HG21 ' B' ' 75' ' ' VAL . 9.0 mmm-85 -138.84 117.29 12.03 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.804 0.335 . . . . 75.41 110.568 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' B' ' 29' ' ' ILE . 62.4 m-85 -124.93 125.34 43.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.993 0.425 . . . . 74.55 111.375 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 96.8 m -113.86 115.14 27.25 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.865 -0.607 . . . . 74.41 109.878 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -133.93 171.47 14.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.03 0.443 . . . . 75.24 111.472 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 161.2 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 73.22 110.564 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.595 ' HG3' HD12 ' B' ' 56' ' ' LEU . 2.0 ttt -109.0 155.11 21.27 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.965 0.412 . . . . 70.1 111.367 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.92 -65.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.938 -0.649 . . . . 74.52 112.234 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.42 142.23 24.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.232 . . . . 63.05 110.789 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.28 -32.1 5.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.531 2.154 . . . . 52.15 112.383 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' B' ' 58' ' ' HIS . 0.4 OUTLIER -65.38 -29.33 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 73.14 111.073 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -77.42 -44.25 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.772 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.623 ' O ' HD23 ' B' ' 56' ' ' LEU . 4.1 tt -73.16 -31.3 64.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.405 . . . . 53.33 110.222 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.03 -41.89 26.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.781 -0.723 . . . . 72.44 111.946 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' B' ' 54' ' ' LYS . 9.4 m-70 -77.49 -28.78 52.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.748 0.309 . . . . 73.3 110.898 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.852 ' O ' HG23 ' B' ' 63' ' ' VAL . 11.9 mt -63.95 -50.34 69.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.948 0.404 . . . . 60.14 110.893 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.6 mt -58.92 -45.56 90.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 72.13 110.8 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.91 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 52.41 110.709 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.31 96.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.864 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.852 HG23 ' O ' ' B' ' 59' ' ' LEU . 14.5 t -58.2 -30.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 53.41 110.908 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -61.96 -27.1 68.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 74.12 110.942 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -86.03 8.3 21.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.266 -0.424 . . . . 73.03 111.586 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 63' ' ' VAL . 23.4 t -83.55 104.18 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.845 0.355 . . . . 74.32 110.768 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.6 120.25 6.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.041 -0.527 . . . . 70.54 110.813 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.07 -24.04 19.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.782 -0.723 . . . . 74.01 112.766 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.525 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.4 t -80.67 121.48 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-O 120.795 0.331 . . . . 75.03 111.078 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -70.23 -52.34 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.092 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -166.77 169.17 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.961 -0.563 . . . . 71.54 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.598 HG21 HG11 ' B' ' 63' ' ' VAL . 23.7 t -131.28 134.89 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.061 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.4 131.23 36.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.428 -0.351 . . . . 71.41 111.254 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.3 117.23 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.727 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.548 HG21 ' HD3' ' B' ' 45' ' ' ARG . 18.7 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.369 -0.378 . . . . 70.32 111.21 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 1' ' ' LEU . 2.6 pp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.856 0.36 . . . . 75.31 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.1 t -82.24 149.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 64.2 111.295 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.807 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -121.47 169.54 10.54 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.832 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 3' ' ' ALA . 11.2 mm -139.38 132.03 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.333 -0.394 . . . . 71.33 111.473 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -103.41 104.75 14.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.369 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.7 112.76 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 120.925 0.393 . . . . 64.13 111.536 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 127.21 38.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.0 -0.546 . . . . 72.24 110.362 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -159.34 167.91 27.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 73.52 111.492 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.611 HD23 ' CA ' ' A' ' 68' ' ' GLY . 0.8 OUTLIER -54.36 152.67 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 53.54 110.999 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.565 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 10.2 t0 -64.59 81.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.14 111.292 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -153.71 129.85 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.63 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.665 ' NE2' HG22 ' B' ' 19' ' ' THR . 0.1 OUTLIER -60.99 -27.24 68.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.465 -0.334 . . . . 72.33 110.564 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -26.01 23.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.385 -0.371 . . . . 71.35 111.14 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.6 mm? -68.2 -61.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 72.12 110.925 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' B' ' 32' ' ' ALA . 0.9 OUTLIER -58.76 -32.54 69.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.006 -0.543 . . . . 73.23 110.459 179.666 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -67.39 -43.93 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.565 . . . . 64.41 110.276 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -63.07 -41.47 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.282 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 24.0 t -66.44 -38.13 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 63.45 110.806 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -66.05 -40.55 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.041 -0.527 . . . . 72.25 110.647 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -38.87 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 73.3 110.795 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -43.36 90.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.15 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.27 -45.34 84.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 75.54 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.68 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 73.12 111.07 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -60.39 -31.27 70.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 72.31 110.952 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.82 22.45 14.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.043 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 56.68 30.02 16.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 53.02 111.139 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -80.25 101.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 63.02 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 122.17 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.965 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.667 HG21 ' HE1' ' A' ' 46' ' ' PHE . 22.3 mt -96.43 130.06 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.3 mt -81.01 -34.66 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 72.1 110.948 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.15 171.51 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 72.51 110.975 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.593 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . . . -166.39 146.88 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 42.04 111.218 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.409 ' HG ' ' HB2' ' B' ' 33' ' ' SER . 1.5 m -163.68 140.24 6.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 71.53 110.865 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.74 HG12 ' CB ' ' A' ' 44' ' ' SER . 13.4 m -126.02 146.41 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.864 0.364 . . . . 74.4 111.472 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.857 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.9 p -79.98 109.17 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.975 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB2' HD11 ' A' ' 43' ' ' ILE . 1.1 t -58.3 -35.85 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 63.51 111.05 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 165.73 -93.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.517 -0.849 . . . . 40.34 112.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' O ' HG22 ' A' ' 41' ' ' VAL . 12.6 t70 -102.38 112.38 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 74.35 111.452 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.25 36.62 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.56 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 39' ' ' ASP . 2.2 m -137.56 121.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 74.23 111.047 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -121.19 120.17 34.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.158 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 ' HB2' ' A' ' 37' ' ' SER . 19.5 mt -93.02 119.66 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.106 -0.497 . . . . 70.43 111.185 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.74 ' CB ' HG12 ' A' ' 34' ' ' VAL . 1.4 m -103.83 141.63 35.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.788 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ALA . 61.8 mtp180 -124.73 117.21 23.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.176 -0.465 . . . . 43.44 110.65 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.667 ' HE1' HG21 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -110.74 125.55 53.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.33 -0.395 . . . . 64.33 111.321 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 m -112.49 115.27 28.4 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.073 -0.512 . . . . 74.21 110.567 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -150.93 171.05 17.88 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.357 -0.383 . . . . 74.22 111.238 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -88.81 165.78 14.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 64.54 110.809 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -149.9 148.33 28.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.258 -0.428 . . . . 73.44 111.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.53 -45.9 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.713 . . . . 74.22 112.458 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.0 143.37 26.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.714 0.292 . . . . 72.15 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.33 -27.31 8.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.554 2.169 . . . . 73.44 112.384 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -34.6 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.006 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' HD12 ' A' ' 59' ' ' LEU . 25.0 m-70 -77.56 -44.27 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.774 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.55 -32.98 64.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 75.0 110.246 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.12 -39.68 31.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.759 -0.734 . . . . 74.1 111.878 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.76 -30.98 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 71.33 110.75 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.9 ' O ' HG23 ' A' ' 63' ' ' VAL . 5.4 mt -61.35 -44.71 96.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 71.53 110.761 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.91 -45.93 90.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 71.12 110.706 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.83 -42.13 98.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.44 110.65 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 71.12 110.824 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 59' ' ' LEU . 25.7 t -57.85 -28.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 74.43 110.868 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -62.4 -29.42 70.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 71.05 110.8 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -80.63 -0.66 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 74.2 111.426 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 63' ' ' VAL . 23.7 t -75.56 104.09 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.835 0.35 . . . . 74.54 110.834 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -51.68 120.18 4.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.581 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.611 ' CA ' HD23 ' A' ' 9' ' ' LEU . . . 110.28 -20.98 25.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.661 -0.781 . . . . 72.24 112.626 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.542 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 60.3 t -86.88 126.27 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.874 0.368 . . . . 72.24 111.114 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -79.51 -48.17 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 63.24 111.314 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -166.68 166.48 15.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.2 111.111 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.604 HG21 ' CG1' ' A' ' 63' ' ' VAL . 29.1 t -131.55 134.78 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.254 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -135.47 122.56 21.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.3 -0.409 . . . . 63.23 110.981 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.49 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 75.24 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.695 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 20.8 t . . . . . 0 N--CA 1.454 -0.275 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.181 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.401 ' CG1' ' CG ' ' B' ' 74' ' ' ARG . 32.6 t . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.829 0.347 . . . . 71.32 111.175 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.426 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -106.38 159.73 15.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.835 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.623 HD12 ' CZ ' ' B' ' 48' ' ' PHE . 32.7 mt -146.67 132.06 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.084 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.583 ' O ' HG13 ' B' ' 72' ' ' VAL . 1.4 tt0 -104.54 135.46 45.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.094 -0.503 . . . . 65.12 110.855 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 t -118.47 112.84 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.238 -0.437 . . . . 54.42 111.08 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.642 ' O ' HG13 ' B' ' 69' ' ' VAL . 4.2 tt0 -94.19 136.73 34.16 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.903 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.37 147.47 17.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.53 111.192 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' B' ' 11' ' ' ARG . 2.8 pp -58.98 140.96 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 102.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.986 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -153.39 161.37 42.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.836 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' B' ' 13' ' ' ARG . 18.8 p-80 -81.79 146.3 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.948 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' HIS . 3.9 ttm-85 84.71 -20.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.967 -0.56 . . . . 73.14 111.73 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.74 HD21 ' O ' ' B' ' 67' ' ' GLU . 6.1 mt -63.83 -51.82 62.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.98 0.419 . . . . 70.11 110.795 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.728 HD22 HG21 ' B' ' 34' ' ' VAL . 43.9 mt -57.25 -51.68 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.979 -0.555 . . . . 73.21 110.548 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.39 -34.77 72.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.79 -0.641 . . . . 63.11 110.445 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.55 -45.69 89.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 73.14 110.425 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 14' ' ' LEU . 44.0 t -62.87 -48.09 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.641 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.665 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -62.66 -36.87 84.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 41.42 110.204 179.542 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.04 -43.89 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 75.32 110.672 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.01 75.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 70.35 110.643 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.65 -31.73 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.75 -0.659 . . . . 75.11 110.544 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.403 ' HB2' ' HE1' ' A' ' 12' ' ' HIS . . . -71.88 -26.58 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 75.2 111.105 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.43 -28.23 12.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 74.53 111.13 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -120.86 18.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.12 111.214 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 50.03 31.5 4.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.472 -0.331 . . . . 75.5 111.234 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.58 98.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 53.34 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -64.05 106.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.876 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.642 HD12 ' CD2' ' A' ' 12' ' ' HIS . 4.4 mt -94.85 129.44 45.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 75.34 110.55 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 47' ' ' THR . 85.4 mt -74.71 -29.33 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.366 . . . . 74.53 110.417 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -136.65 131.43 33.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.876 179.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.531 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -142.28 121.42 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.545 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.409 ' HB2' ' HG ' ' A' ' 33' ' ' SER . 90.8 p -163.58 141.34 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.903 0.382 . . . . 63.14 111.737 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.728 HG21 HD22 ' B' ' 15' ' ' LEU . 11.1 p -131.19 133.59 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.969 -0.559 . . . . 72.43 110.969 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.5 t -136.58 150.92 48.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.931 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 128.92 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.855 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.508 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -66.72 -67.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.823 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.61 -79.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 71.54 112.45 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.6 -66.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.794 0.33 . . . . 74.2 110.762 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -97.49 37.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.54 110.676 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.3 117.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 72.23 111.234 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -110.0 142.39 41.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 44.34 111.059 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.508 HD11 ' OG ' ' B' ' 37' ' ' SER . 25.0 mt -130.11 116.73 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.264 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 4.8 t -104.98 152.26 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.76 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -138.85 118.43 12.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.37 -0.377 . . . . 75.41 110.469 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' B' ' 31' ' ' SER . 70.7 m-85 -126.71 125.3 41.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.963 0.411 . . . . 74.55 111.399 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 30' ' ' LEU . 23.4 m -112.34 115.26 28.46 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.94 -0.573 . . . . 74.41 110.006 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.623 ' CZ ' HD12 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -129.24 155.11 46.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 75.24 111.27 -179.365 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -125.5 112.0 15.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.936 -0.575 . . . . 73.22 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mtp -150.05 165.77 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 70.1 110.991 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.37 25.96 8.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.808 -0.71 . . . . 74.52 112.514 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -106.36 104.47 50.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.494 0.188 . . . . 63.05 110.871 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -34.51 24.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.461 2.107 . . . . 52.15 112.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.31 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 73.14 110.883 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -44.27 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.62 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.58 -33.35 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 53.33 110.075 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.32 -42.37 28.32 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.701 -0.761 . . . . 72.44 111.799 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -72.39 -26.31 61.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.675 0.274 . . . . 73.3 110.878 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.2 OUTLIER -59.56 -46.15 89.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.913 0.387 . . . . 60.14 110.975 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -49.6 76.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.029 -0.532 . . . . 72.13 110.798 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.59 -35.61 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 52.41 110.673 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.35 77.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 62.43 110.743 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.815 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.8 t -57.24 -31.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.89 -0.596 . . . . 53.41 110.939 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.92 -29.54 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.776 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -80.91 0.04 37.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.535 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.0 t -82.31 104.26 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-O 120.917 0.389 . . . . 74.32 110.661 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.74 ' O ' HD21 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -54.16 120.04 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 70.54 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.08 19.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 74.01 112.906 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.642 HG13 ' O ' ' B' ' 7' ' ' GLU . 59.5 t -78.03 121.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 120.914 0.388 . . . . 75.03 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -70.6 -56.22 7.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.519 . . . . 75.41 111.206 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -166.74 169.15 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.172 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.583 HG13 ' O ' ' B' ' 5' ' ' GLN . 16.4 t -127.03 141.26 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.018 -0.537 . . . . 72.14 111.035 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -135.52 130.41 34.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.91 0.386 . . . . 71.41 111.507 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.401 ' CG ' ' CG1' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -68.88 111.07 4.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.682 179.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.426 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 12.7 t . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 70.32 111.183 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 49' ' ' GLU . 11.5 mt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.79 0.329 . . . . 75.31 111.247 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.536 HG13 ' NE ' ' A' ' 74' ' ' ARG . 34.0 t -82.28 138.26 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 64.2 111.14 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.65 171.2 7.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.048 -0.524 . . . . 74.21 111.125 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.72 HD11 ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt -139.92 138.99 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.327 -0.397 . . . . 71.33 111.429 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -110.86 106.8 16.07 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.084 -0.507 . . . . 71.15 110.593 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 72' ' ' VAL . 27.4 t -104.51 112.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.293 -0.412 . . . . 64.13 111.28 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -91.89 129.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.963 -0.562 . . . . 72.24 110.528 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.84 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.32 163.4 35.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 73.52 111.338 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.6 tp -50.67 148.77 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 53.54 111.152 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -65.5 82.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.196 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -153.64 120.45 5.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.787 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.942 ' CD2' HD12 ' B' ' 29' ' ' ILE . 27.7 t-80 -57.66 -26.3 61.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.742 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -57.54 -37.98 73.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 71.35 110.524 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.88 ' O ' HG23 ' A' ' 18' ' ' VAL . 82.6 mt -64.67 -40.36 95.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 72.12 110.616 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 12' ' ' HIS . 3.8 mm? -61.62 -50.26 73.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 73.23 110.472 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.0 t -60.81 -40.36 92.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 64.41 110.442 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.34 -41.21 98.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.567 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 14' ' ' LEU . 38.3 t -68.44 -37.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 63.45 110.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.468 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.2 m -67.11 -37.11 83.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.52 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -62.12 -40.26 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 73.3 110.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 74.43 110.879 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 59' ' ' LEU . 23.6 mt -65.59 -54.35 29.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.815 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.067 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.5 -29.97 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.872 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 23.75 13.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 72.53 111.125 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 59.45 47.91 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 53.02 110.935 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 22' ' ' LEU . 30.0 t -102.79 114.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 63.02 111.022 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -88.65 119.32 29.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.02 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.34 126.15 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.106 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.21 -31.1 60.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.753 ' OG ' HG22 ' B' ' 35' ' ' THR . 0.3 OUTLIER -171.27 166.72 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 72.51 111.083 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -168.07 149.26 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 42.04 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 16.9 t -163.61 135.28 4.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.973 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.46 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.2 p -122.5 141.33 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.931 0.396 . . . . 74.4 111.499 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -136.57 132.44 35.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.02 -0.536 . . . . 73.22 110.818 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 t -63.38 111.7 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.113 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.459 ' HB2' HD11 ' A' ' 43' ' ' ILE . 6.2 t -63.2 -76.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 63.51 110.827 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.75 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -105.67 -90.95 2.2 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 40.34 112.493 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -123.77 -72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.793 0.33 . . . . 74.35 110.966 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -97.71 32.94 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 74.31 110.673 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -137.58 121.14 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.701 . . . . 74.23 111.088 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.57 ' HB2' ' OD2' ' A' ' 10' ' ' ASP . . . -119.3 125.05 48.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.333 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.46 ' C ' HG23 ' A' ' 34' ' ' VAL . 8.7 mt -89.84 109.27 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 70.43 110.819 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.5 t -98.0 137.77 36.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.14 111.052 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -116.99 148.93 41.03 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.102 -0.499 . . . . 43.44 110.621 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 80.5 m-85 -147.08 125.42 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 64.33 111.239 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.6 m -111.25 116.41 30.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.885 -0.598 . . . . 74.21 110.496 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.72 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -150.98 139.14 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 74.22 111.189 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 1' ' ' LEU . 26.3 mt-10 -88.88 125.23 34.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.154 -0.476 . . . . 64.54 110.929 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 6.9 mmm -149.86 165.43 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 73.44 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 -40.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.779 -0.724 . . . . 74.22 112.607 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.01 107.96 1.0 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.529 0.204 . . . . 72.15 111.137 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.04 -34.45 16.96 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.464 2.11 . . . . 73.44 112.324 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -64.38 -39.44 93.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -77.52 -38.92 47.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 71.35 110.515 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.673 HD21 ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -71.24 -35.12 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 75.0 110.083 179.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -39.87 35.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.605 -0.807 . . . . 74.1 111.721 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -73.14 -31.19 64.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 71.33 110.736 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 10.0 tt -61.77 -46.75 88.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.961 0.41 . . . . 71.53 110.893 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -48.0 81.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 71.12 110.778 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -61.17 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.646 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.27 98.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.08 -0.509 . . . . 71.12 110.788 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 15.4 t -57.02 -29.65 32.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.889 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -59.97 -31.13 69.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 71.05 110.695 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -75.24 -6.98 52.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.325 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 63' ' ' VAL . 28.0 t -72.79 104.06 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.875 0.369 . . . . 74.54 110.724 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.58 119.71 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.07 -0.514 . . . . 74.1 110.67 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.529 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 8' ' ' ALA . 62.1 t -85.37 124.97 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.789 0.328 . . . . 72.24 111.154 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -74.97 -54.68 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.24 111.218 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -166.7 169.06 13.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 73.2 111.141 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.406 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.3 t -131.53 133.56 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.144 -0.48 . . . . 73.25 111.311 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.5 138.93 43.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.357 -0.383 . . . . 63.23 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.536 ' NE ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -69.35 120.25 14.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 75.24 110.831 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 58.6 t . . . . . 0 N--CA 1.453 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.226 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.672 HG11 ' HD3' ' B' ' 74' ' ' ARG . 40.9 t . . . . . 0 N--CA 1.45 -0.426 0 CA-C-O 120.876 0.369 . . . . 71.32 111.216 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -97.59 151.25 20.25 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.16 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.589 HD11 ' HE1' ' B' ' 48' ' ' PHE . 16.9 mt -136.03 132.03 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.217 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -105.08 104.75 14.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.517 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.427 HG22 HG13 ' B' ' 72' ' ' VAL . 21.8 t -106.09 112.97 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.515 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.04 144.71 28.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.628 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.931 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -159.4 160.74 35.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 75.53 111.262 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.753 ' O ' HD12 ' B' ' 14' ' ' LEU . 19.9 tp -56.29 132.79 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.32 110.902 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -59.43 99.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.03 111.039 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -142.67 170.18 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 62.53 110.842 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -98.49 30.45 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.915 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -141.48 -43.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.14 111.052 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.931 HD13 ' HB1' ' B' ' 8' ' ' ALA . 17.3 mt -50.72 -38.07 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.11 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.027 HD11 HG11 ' B' ' 34' ' ' VAL . 0.4 OUTLIER -60.15 -55.66 31.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.21 110.513 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.5 t -58.05 -31.87 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.78 -0.645 . . . . 63.11 110.485 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . 0.47 ' OD1' HG13 ' B' ' 66' ' ' VAL . 1.9 t0 -66.04 -46.0 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.596 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 14' ' ' LEU . 11.8 t -64.24 -45.81 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 75.1 110.839 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.501 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.08 -37.23 80.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 41.42 110.132 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -70.6 -39.09 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 75.32 110.703 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.68 76.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 70.35 110.787 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.528 ' O ' HG23 ' B' ' 27' ' ' VAL . 7.2 mt -69.77 -36.49 75.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.647 . . . . 75.11 110.549 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.44 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 75.2 111.137 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -53.05 -36.0 60.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.33 -0.396 . . . . 74.53 110.953 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.51 19.67 20.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.886 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 tttm 54.11 28.9 9.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.42 -0.354 . . . . 75.5 111.08 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 22' ' ' LEU . 36.4 t -57.76 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 53.34 110.592 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.12 100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.042 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.942 HD12 ' CD2' ' A' ' 12' ' ' HIS . 6.1 mt -90.84 130.06 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.856 -0.611 . . . . 75.34 110.337 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 47' ' ' THR . 77.1 mt -74.65 -29.17 61.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.903 0.382 . . . . 74.53 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.2 m -133.04 131.34 40.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.99 -0.55 . . . . 64.02 110.804 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.18 121.42 16.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 74.31 110.144 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 60.2 p -160.13 134.16 7.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.939 0.4 . . . . 63.14 111.919 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 1.027 HG11 HD11 ' B' ' 15' ' ' LEU . 8.6 p -131.15 138.09 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.024 -0.535 . . . . 72.43 111.066 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.753 HG22 ' OG ' ' A' ' 31' ' ' SER . 18.4 p -136.64 152.88 50.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.406 -0.361 . . . . 74.23 111.03 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -91.58 107.85 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.4 ' OG ' HD12 ' B' ' 43' ' ' ILE . 0.8 OUTLIER -89.53 146.4 24.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.874 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.59 -82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 71.54 112.386 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -166.74 -66.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.323 . . . . 74.2 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -96.8 38.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.777 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.35 134.44 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 115.977 -0.556 . . . . 72.23 111.169 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.43 113.13 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 44.34 111.166 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.4 HD12 ' OG ' ' B' ' 37' ' ' SER . 26.7 mt -95.75 125.14 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.055 -0.52 . . . . 62.24 111.243 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 150.28 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.893 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -135.1 119.96 18.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.281 -0.418 . . . . 75.41 110.343 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' B' ' 31' ' ' SER . 61.5 m-85 -129.71 125.39 35.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.05 0.452 . . . . 74.55 111.616 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 88.4 m -116.07 119.64 36.51 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.791 -0.64 . . . . 74.41 110.092 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.589 ' HE1' HD11 ' B' ' 4' ' ' ILE . 2.5 p90 -138.23 147.33 43.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.973 0.416 . . . . 75.24 111.498 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -91.19 111.91 23.59 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.92 -0.582 . . . . 73.22 110.776 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 150.24 31.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.381 -0.372 . . . . 70.1 111.192 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.49 -32.29 1.81 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.885 -0.674 . . . . 74.52 112.374 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.03 110.67 3.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.481 0.181 . . . . 63.05 110.775 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.41 -27.31 33.91 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.449 2.099 . . . . 52.15 112.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -63.02 -40.37 97.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.888 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -77.5 -34.91 53.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 74.11 110.628 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -36.01 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 53.33 110.126 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.04 -38.17 36.01 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.753 -0.737 . . . . 72.44 111.816 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -30.41 52.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 73.3 110.78 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.777 ' O ' HG23 ' B' ' 63' ' ' VAL . 7.5 tt -66.63 -55.28 16.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.933 0.396 . . . . 60.14 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -45.7 81.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.746 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.77 -38.78 92.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 52.41 110.65 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.75 95.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.827 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 59' ' ' LEU . 23.1 t -57.83 -32.37 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 53.41 110.94 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -61.07 -26.99 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.892 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.91 -7.99 54.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 73.03 111.388 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 63' ' ' VAL . 40.0 t -71.08 104.07 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 120.911 0.386 . . . . 74.32 110.583 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.68 ' O ' HD21 ' B' ' 14' ' ' LEU . 62.7 tt0 -52.34 116.9 2.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 70.54 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.03 -19.6 27.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.811 -0.709 . . . . 74.01 112.742 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 66' ' ' VAL . 5.5 p -70.91 126.09 30.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.337 . . . . 75.03 111.124 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -68.2 -60.52 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 75.41 110.836 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -167.21 169.1 12.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.54 111.069 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' B' ' 63' ' ' VAL . 33.1 t -131.38 126.42 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.115 -0.493 . . . . 72.14 111.003 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.32 131.93 37.06 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.894 0.378 . . . . 71.41 111.25 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.672 ' HD3' HG11 ' B' ' 2' ' ' VAL . 8.2 mtm180 -69.83 119.48 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 73.22 110.747 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.433 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 14.5 t . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.389 . . . . 70.32 111.231 -179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.865 0.364 . . . . 75.31 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.03 139.82 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.188 -0.46 . . . . 64.2 111.293 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.59 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -105.79 161.47 14.39 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.068 -0.515 . . . . 74.21 110.976 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.655 HD11 ' CE2' ' A' ' 48' ' ' PHE . 21.0 mt -135.32 131.96 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.328 -0.396 . . . . 71.33 111.407 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.526 ' NE2' HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -104.84 105.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.26 -0.427 . . . . 71.15 110.495 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.6 t -104.11 112.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.279 -0.419 . . . . 64.13 111.486 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -93.1 128.02 38.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.439 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.671 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -158.02 168.09 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 73.52 111.401 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -53.43 144.54 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 53.54 110.947 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.471 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 21.9 t70 -63.55 81.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 71.14 111.085 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -153.49 142.07 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 74.23 110.884 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.855 ' CD2' HD12 ' B' ' 29' ' ' ILE . 19.5 t-80 -72.17 -10.56 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 72.33 111.253 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -69.06 -37.96 78.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.834 0.35 . . . . 71.35 110.827 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.8 mm? -63.28 -44.94 93.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.521 . . . . 72.12 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.4 mm? -61.68 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.59 . . . . 73.23 110.805 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.532 ' HA ' HG21 ' B' ' 19' ' ' THR . 68.9 p -64.24 -42.48 96.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 64.41 110.465 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.83 -41.43 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 74.11 110.696 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 14' ' ' LEU . 34.8 t -68.13 -37.42 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.512 . . . . 63.45 110.829 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -67.28 -37.91 84.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.544 . . . . 72.25 110.544 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -61.04 -39.55 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.3 110.713 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.05 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 74.43 110.947 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.677 HD13 HG12 ' A' ' 29' ' ' ILE . 86.7 mt -65.4 -45.37 84.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.08 -32.71 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.021 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.94 -33.48 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.31 111.004 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.518 ' HB3' HG23 ' A' ' 27' ' ' VAL . 8.8 tt0 -104.76 22.06 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 72.53 111.197 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.47 30.17 12.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.396 -0.366 . . . . 53.02 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 25' ' ' GLU . 22.4 t -73.78 110.84 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 63.02 111.066 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -74.69 113.89 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 63.02 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.677 HG12 HD13 ' A' ' 22' ' ' LEU . 3.5 mp -96.31 123.89 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 73.12 111.095 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 30' ' ' LEU . 21.3 mt -75.08 -35.65 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.779 ' HB3' HG23 ' B' ' 35' ' ' THR . 0.3 OUTLIER -173.11 170.82 4.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 72.51 111.014 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.97 150.19 5.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 42.04 111.273 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -163.61 139.22 6.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 71.53 110.731 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.504 HG23 ' C ' ' A' ' 43' ' ' ILE . 9.6 p -130.91 144.76 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 120.966 0.412 . . . . 74.4 111.416 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.512 ' O ' HD12 ' A' ' 43' ' ' ILE . 33.6 p -134.46 148.27 50.55 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.996 -0.547 . . . . 73.22 110.836 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 t -73.65 108.14 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 71.24 111.121 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.516 ' HB2' HD11 ' A' ' 43' ' ' ILE . 5.7 t -59.34 -32.81 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 63.51 110.902 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.732 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 174.4 -109.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 40.34 112.673 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.32 113.61 25.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 74.35 111.07 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.42 35.4 17.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.31 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.732 HG23 ' N ' ' A' ' 38' ' ' GLY . 2.8 m -137.42 130.36 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.099 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -139.17 118.97 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.375 . . . . 74.01 111.263 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.526 HG21 ' NE2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -89.97 114.31 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 70.43 110.922 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 t -97.89 139.82 33.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.939 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 117.53 23.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.486 . . . . 43.44 110.575 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -109.08 151.81 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.253 -0.43 . . . . 64.33 111.162 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.7 m -133.73 118.75 18.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.959 -0.564 . . . . 74.21 110.526 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.2 p90 -150.65 153.69 36.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.282 -0.417 . . . . 74.22 111.089 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -110.57 111.87 23.4 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 27' ' ' VAL . 2.1 ttp -150.03 146.99 27.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.759 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.29 29.58 5.9 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.567 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.46 100.23 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.558 0.218 . . . . 72.15 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.76 -42.95 63.83 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 73.44 112.34 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -31.91 73.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 72.32 110.943 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.49 -43.92 30.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.635 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 -32.7 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 75.0 110.093 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.98 -42.5 37.12 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.726 -0.75 . . . . 74.1 111.808 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -73.88 -33.7 64.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.848 0.356 . . . . 71.33 110.684 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 63' ' ' VAL . 8.1 tp -61.62 -44.83 96.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.759 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -47.32 85.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 71.12 110.803 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.17 -39.38 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.695 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.106 -0.497 . . . . 71.12 110.742 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -56.88 -33.46 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 74.43 111.103 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -60.21 -28.48 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.327 -0.397 . . . . 71.05 110.768 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -80.23 -2.07 43.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.38 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.4 t -77.74 104.14 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 120.834 0.35 . . . . 74.54 110.696 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' HD11 ' A' ' 14' ' ' LEU . 11.7 mt-10 -52.69 120.27 5.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 74.1 110.691 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.49 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.13 -21.37 24.79 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.68 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 8' ' ' ALA . 58.4 t -86.07 123.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.81 0.338 . . . . 72.24 111.03 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -52.46 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.279 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -166.75 169.17 13.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.215 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.563 HG21 HG11 ' A' ' 63' ' ' VAL . 21.7 t -128.64 136.3 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.196 -0.456 . . . . 73.25 111.262 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -135.51 121.97 20.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.426 -0.352 . . . . 63.23 111.273 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 116.57 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.804 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.59 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 24.1 t . . . . . 0 N--CA 1.453 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.275 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 t . . . . . 0 N--CA 1.453 -0.294 0 CA-C-O 120.832 0.349 . . . . 71.32 111.188 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.446 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -103.58 154.57 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.147 -0.479 . . . . 72.13 111.07 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mt -132.38 132.03 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.206 -0.452 . . . . 75.25 111.555 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.603 ' HG3' HG21 ' B' ' 75' ' ' VAL . 4.2 mt-30 -109.23 108.12 18.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.966 -0.561 . . . . 65.12 110.393 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -102.5 112.86 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.86 0.362 . . . . 54.42 111.711 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.72 ' CG ' HD12 ' B' ' 43' ' ' ILE . 10.0 mt-10 -97.15 132.54 42.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.681 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -154.17 169.91 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 75.53 111.383 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 14' ' ' LEU . 27.8 tp -57.31 150.98 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.53 . . . . 73.32 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -71.04 76.73 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.008 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.558 ' CB ' HD12 ' B' ' 14' ' ' LEU . 24.4 ttp85 -125.15 139.03 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.88 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -64.79 -44.69 89.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.15 111.054 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -30.91 71.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.055 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.707 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.0 mt -56.36 -37.81 70.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 70.11 110.901 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.757 HD22 HG11 ' B' ' 34' ' ' VAL . 39.7 mt -59.76 -55.4 34.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 73.21 110.347 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.83 -33.21 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 63.11 110.335 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.67 -44.94 92.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 73.14 110.376 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 14' ' ' LEU . 22.2 t -66.97 -39.22 82.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 75.1 110.746 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.592 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.45 -38.72 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 41.42 110.457 179.529 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -70.58 -36.99 73.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.614 . . . . 75.32 110.826 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -54.63 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 70.35 110.799 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 27' ' ' VAL . 64.0 mt -69.52 -33.23 72.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.812 -0.631 . . . . 75.11 110.543 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.47 -24.5 62.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 75.2 111.097 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -51.25 -35.44 37.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 74.53 110.923 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -107.56 21.13 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 73.12 110.841 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.93 29.5 10.06 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.334 -0.394 . . . . 75.5 110.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 22' ' ' LEU . 35.5 t -59.32 89.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.34 110.674 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -63.97 100.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 74.34 110.698 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.855 HD12 ' CD2' ' A' ' 12' ' ' HIS . 7.5 mt -85.92 134.11 28.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 75.34 110.322 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 7.4 mt -74.33 -26.55 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.365 . . . . 74.53 110.852 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -143.4 133.87 24.82 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.793 179.56 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.521 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -132.79 121.63 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.413 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.42 ' O ' ' N ' ' B' ' 45' ' ' ARG . 0.9 OUTLIER -155.31 130.79 9.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.805 -0.358 . . . . 63.14 111.694 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.757 HG11 HD22 ' B' ' 15' ' ' LEU . 10.1 p -131.12 120.42 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.43 111.137 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.779 HG23 ' HB3' ' A' ' 31' ' ' SER . 33.5 m -136.66 154.09 50.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.031 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 34.3 p -59.09 129.96 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.42 110.867 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -44.61 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.796 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.533 ' H ' HG23 ' B' ' 41' ' ' VAL . . . -138.69 -76.75 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.898 -0.668 . . . . 71.54 112.407 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.93 -72.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.729 0.3 . . . . 74.2 110.815 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 34.25 1.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.062 0.458 . . . . 65.54 110.374 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.533 HG23 ' H ' ' B' ' 38' ' ' GLY . 5.7 m -137.33 139.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.731 -0.668 . . . . 72.23 111.317 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.96 120.7 33.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 44.34 111.002 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.72 HD12 ' CG ' ' B' ' 7' ' ' GLU . 17.8 tt -106.47 132.83 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.249 -0.432 . . . . 62.24 111.339 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 50.6 m -103.36 155.05 18.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.932 -0.576 . . . . 61.43 110.528 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.2 OUTLIER -137.86 117.26 12.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.309 -0.405 . . . . 75.41 110.189 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.679 ' HB3' HG21 ' B' ' 29' ' ' ILE . 89.8 m-85 -125.34 125.22 43.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.048 0.452 . . . . 74.55 111.633 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 60.9 m -111.2 114.93 28.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.84 -0.618 . . . . 74.41 109.537 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.54 ' HB3' HG23 ' B' ' 29' ' ' ILE . 1.9 p90 -143.34 160.82 39.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.116 0.484 . . . . 75.24 111.825 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.94 146.46 24.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 73.22 110.61 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 48' ' ' PHE . 0.8 OUTLIER -149.96 137.9 20.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.878 0.371 . . . . 70.1 111.197 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.06 -24.69 4.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.813 -0.708 . . . . 74.52 112.534 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.13 101.43 34.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.249 . . . . 63.05 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.94 -24.49 13.96 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 52.15 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -59.76 -40.1 87.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 73.14 111.117 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -77.29 -42.77 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.691 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.438 HD12 ' HZ ' ' B' ' 48' ' ' PHE . 3.0 tp -67.12 -31.9 72.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.949 0.404 . . . . 53.33 110.032 179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -45.01 21.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.806 -0.711 . . . . 72.44 111.803 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -26.58 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.719 0.295 . . . . 73.3 110.833 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.886 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.2 OUTLIER -62.73 -46.2 89.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.934 0.397 . . . . 60.14 110.965 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -59.39 -51.22 70.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.54 . . . . 72.13 110.83 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.12 -36.14 78.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 52.41 110.602 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.728 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 59' ' ' LEU . 19.5 t -56.37 -30.87 31.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 53.41 110.964 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -31.51 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.718 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.52 -7.18 54.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.344 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' B' ' 63' ' ' VAL . 21.9 t -75.9 104.2 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.886 0.374 . . . . 74.32 110.71 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.29 120.15 4.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 70.54 110.895 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.08 -23.96 19.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 74.01 112.668 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.63 HG11 HG12 ' B' ' 63' ' ' VAL . 96.8 t -79.65 113.93 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.847 0.356 . . . . 75.03 110.964 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.78 -49.98 40.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.068 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.88 169.01 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 71.54 111.032 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.501 HG21 HG11 ' B' ' 63' ' ' VAL . 21.9 t -131.47 145.48 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.047 -0.524 . . . . 72.14 111.183 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -135.33 125.86 26.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.051 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -68.43 109.23 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.603 HG21 ' HG3' ' B' ' 5' ' ' GLN . 18.8 t . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 70.32 111.11 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.872 0.368 . . . . 75.31 111.168 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' A' ' 74' ' ' ARG . 20.0 t -82.23 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 64.2 111.206 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.846 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -106.5 159.81 15.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.176 -0.465 . . . . 74.21 111.003 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.846 HD13 ' O ' ' A' ' 3' ' ' ALA . 21.8 mm -133.34 132.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.295 -0.411 . . . . 71.33 111.389 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.29 104.7 14.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.054 -0.521 . . . . 71.15 110.605 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 72' ' ' VAL . 13.0 t -105.45 112.74 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.248 -0.433 . . . . 64.13 111.319 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.602 ' CG ' HG23 ' A' ' 43' ' ' ILE . 12.5 mt-10 -90.67 134.03 34.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 72.24 110.719 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.887 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.4 164.98 34.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 73.52 111.254 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.6 mm? -54.78 149.41 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 53.54 110.962 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.69 77.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.14 111.146 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.53 128.9 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.812 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' HG22 ' B' ' 19' ' ' THR . 1.5 t-80 -58.98 -28.38 66.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 72.33 110.714 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -38.14 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 71.35 110.812 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.887 HD13 ' HB1' ' A' ' 8' ' ' ALA . 54.2 mt -67.57 -47.38 69.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 72.12 110.783 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.5 mm? -61.43 -44.82 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 73.23 110.557 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 p -62.92 -41.72 99.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 64.41 110.404 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.32 -42.77 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 74.11 110.423 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 14' ' ' LEU . 33.6 t -67.51 -35.95 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 63.45 110.679 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.543 ' HA ' HD12 ' A' ' 22' ' ' LEU . 25.0 m -66.35 -39.2 89.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 72.25 110.463 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.0 -43.85 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.009 -0.541 . . . . 73.3 110.536 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.55 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.56 . . . . 74.43 110.716 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 27' ' ' VAL . 37.0 mt -65.99 -53.87 33.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.942 -0.572 . . . . 75.54 110.631 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -38.54 72.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.999 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.81 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 72.31 110.817 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.41 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.18 45.2 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.912 0.387 . . . . 53.02 111.031 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 22' ' ' LEU . 4.8 m -109.31 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.063 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -64.11 121.28 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.02 111.031 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.3 129.43 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.054 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.97 -33.0 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 t -170.35 171.52 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.068 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -164.55 145.12 7.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 42.04 111.165 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 m -163.61 133.93 4.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 71.53 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.828 HG23 ' C ' ' A' ' 43' ' ' ILE . 15.0 p -128.04 140.82 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-O 120.927 0.394 . . . . 74.4 111.531 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -127.99 154.08 46.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.024 -0.535 . . . . 73.22 110.915 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 p -75.9 127.8 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.055 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 43' ' ' ILE . 40.7 t -109.55 76.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 63.51 110.836 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.61 -81.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 40.34 112.378 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -159.22 -68.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 74.35 110.86 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 9' ' ' LEU . 45.8 mtt-85 -97.95 35.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.02 0.438 . . . . 74.31 110.683 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.44 143.33 34.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.788 -0.642 . . . . 74.23 111.126 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.32 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.01 111.241 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.828 ' C ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.61 107.9 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 70.43 110.643 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.636 ' N ' HG23 ' A' ' 34' ' ' VAL . 1.9 p -98.3 131.41 44.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 73.14 111.158 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.84 117.11 29.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.02 -0.536 . . . . 43.44 110.538 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -109.13 125.59 52.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.959 0.409 . . . . 64.33 111.266 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -105.36 115.39 30.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.016 -0.538 . . . . 74.21 110.661 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 142.4 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.399 . . . . 74.22 111.184 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.82 127.41 35.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 64.54 110.859 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.0 165.86 31.41 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.336 -0.393 . . . . 73.44 111.012 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.65 -43.36 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 74.22 112.471 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.68 109.05 1.44 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.511 0.196 . . . . 72.15 111.019 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.75 -31.52 20.41 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.379 2.053 . . . . 73.44 112.412 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -40.82 92.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.787 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -77.58 -44.42 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.968 -0.56 . . . . 71.35 110.479 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.8 tt -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 75.0 109.997 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.77 -42.56 38.4 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.789 -0.72 . . . . 74.1 111.596 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.36 -33.27 73.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 71.33 110.636 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.895 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.51 -43.86 96.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 71.53 110.799 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.23 -49.45 77.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 71.12 110.821 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.0 -40.66 94.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.628 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.89 93.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 71.12 110.705 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 59' ' ' LEU . 23.2 t -56.89 -30.94 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 74.43 110.96 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -60.11 -30.13 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 71.05 110.799 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -76.16 -5.94 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.419 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 63' ' ' VAL . 26.3 t -74.66 104.2 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 120.879 0.371 . . . . 74.54 110.667 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -51.16 119.82 4.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.544 . . . . 74.1 110.753 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -23.38 21.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.542 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.537 HG22 ' HB2' ' A' ' 8' ' ' ALA . 55.4 t -84.21 126.43 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.825 0.345 . . . . 72.24 111.141 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -73.43 -57.84 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.276 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.72 169.16 13.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.522 . . . . 73.2 111.069 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.538 HG22 HG13 ' A' ' 6' ' ' VAL . 21.8 t -124.67 136.1 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.103 -0.499 . . . . 73.25 111.276 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 133.48 38.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.905 0.383 . . . . 63.23 111.201 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.677 ' HD2' HG11 ' A' ' 2' ' ' VAL . 20.0 ttp180 -71.3 117.17 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.786 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.1 t . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.329 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.884 0.373 . . . . 71.32 111.12 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -107.58 169.52 8.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.143 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.6 mt -145.67 132.0 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.949 0.404 . . . . 75.25 111.398 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.53 108.76 20.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.019 -0.537 . . . . 65.12 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.6 112.99 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 54.42 111.593 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.602 ' O ' HG13 ' B' ' 69' ' ' VAL . 1.6 tp10 -96.65 128.31 43.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.745 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.653 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -156.77 151.28 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 75.53 111.056 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.418 HD12 ' O ' ' B' ' 40' ' ' ARG . 11.7 tp -52.78 146.47 10.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 73.32 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' B' ' 36' ' ' THR . 0.3 OUTLIER -71.29 95.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.099 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -125.51 -172.57 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 62.53 110.84 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -103.55 -31.36 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 73.15 110.976 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -96.68 -24.41 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.14 111.082 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.576 HD21 ' O ' ' B' ' 67' ' ' GLU . 2.8 mt -55.55 -42.98 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 70.11 111.064 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 1.038 HD21 HG11 ' B' ' 34' ' ' VAL . 0.4 OUTLIER -59.87 -56.4 22.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.329 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 56.9 p -59.43 -29.27 67.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 63.11 110.292 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -47.31 78.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.925 -0.579 . . . . 73.14 110.328 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 14' ' ' LEU . 46.3 t -65.01 -44.53 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 75.1 110.451 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.488 HG22 ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.51 -38.63 87.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.819 -0.628 . . . . 41.42 110.143 179.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.17 -41.71 89.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.607 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.52 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 70.35 110.64 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.505 HD22 HD11 ' B' ' 59' ' ' LEU . 34.8 mt -76.69 -31.22 57.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.703 -0.68 . . . . 75.11 110.495 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB2' ' HE1' ' A' ' 12' ' ' HIS . . . -68.1 -29.09 67.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 75.2 111.099 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -50.73 -28.52 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.53 111.102 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -117.63 19.02 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 73.12 111.212 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 49.96 30.68 4.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.456 -0.338 . . . . 75.5 111.261 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.5 92.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 53.34 110.625 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -63.95 104.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.983 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.667 HD13 ' CD2' ' B' ' 46' ' ' PHE . 4.3 mt -91.91 135.84 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.867 -0.606 . . . . 75.34 110.348 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' THR . 29.6 mt -74.67 -22.35 58.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.729 0.299 . . . . 74.53 111.073 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.432 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -151.08 143.47 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.962 0.411 . . . . 64.02 110.994 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -142.22 121.62 13.19 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.0 -0.545 . . . . 74.31 110.278 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.8 m -154.67 138.08 15.86 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.97 0.414 . . . . 63.14 111.861 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 1.038 HG11 HD21 ' B' ' 15' ' ' LEU . 7.4 p -131.23 135.99 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.869 -0.605 . . . . 72.43 110.829 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.8 p -136.72 154.01 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 74.23 111.158 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.416 HG22 ' OD2' ' B' ' 10' ' ' ASP . 18.6 p -96.93 121.85 39.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.854 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -88.79 -80.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 74.14 111.231 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.69 2.91 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.667 -0.778 . . . . 71.54 112.933 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 68.42 -65.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 74.2 111.249 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.418 ' O ' HD12 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -94.93 35.76 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 65.54 111.22 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.57 113.1 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 72.23 110.712 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -97.32 114.54 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 44.34 111.323 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 33.3 mt -102.58 109.77 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.942 -0.572 . . . . 62.24 110.928 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.93 149.4 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.43 110.781 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.59 117.94 11.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.524 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' B' ' 29' ' ' ILE . 80.1 m-85 -121.78 125.25 46.09 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.143 -0.481 . . . . 74.55 111.235 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 41.5 m -111.0 115.24 29.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.13 -0.486 . . . . 74.41 110.194 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' B' ' 56' ' ' LEU . 3.4 p90 -138.85 171.34 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 75.24 111.175 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.42 165.78 14.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 73.22 110.678 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.1 ttp -108.9 141.26 41.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 70.1 111.178 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.88 -60.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.895 -0.669 . . . . 74.52 112.349 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -106.39 138.71 19.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.555 0.217 . . . . 63.05 110.794 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.27 -39.26 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.505 2.136 . . . . 52.15 112.383 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -63.83 -27.15 68.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 73.14 111.057 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -77.4 -44.38 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 74.11 110.727 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -71.93 -31.67 66.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 53.33 110.204 179.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.54 26.75 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 72.44 111.917 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.2 -29.08 42.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.695 0.283 . . . . 73.3 110.889 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.882 ' O ' HG23 ' B' ' 63' ' ' VAL . 6.5 tt -61.47 -45.36 94.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.889 0.376 . . . . 60.14 110.834 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -47.99 83.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 72.13 110.812 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -61.38 -36.96 81.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 52.41 110.786 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.51 86.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 62.43 110.811 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 59' ' ' LEU . 13.9 t -58.2 -30.85 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.53 . . . . 53.41 110.918 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -62.69 -27.29 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.12 110.757 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.14 3.97 28.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.553 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 63' ' ' VAL . 23.7 t -81.02 104.22 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-O 120.934 0.397 . . . . 74.32 110.645 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.576 ' O ' HD21 ' B' ' 14' ' ' LEU . 7.3 mt-10 -53.72 120.17 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 70.54 110.871 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.05 -23.93 20.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.01 112.76 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.653 HG22 ' HB2' ' B' ' 8' ' ' ALA . 47.6 t -80.9 121.34 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.88 0.371 . . . . 75.03 110.941 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -69.0 -53.93 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 75.41 111.055 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -166.77 169.05 13.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.561 . . . . 71.54 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.614 HG21 ' CG1' ' B' ' 63' ' ' VAL . 24.0 t -131.15 139.35 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.993 -0.549 . . . . 72.14 111.107 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -135.18 122.49 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 71.41 111.18 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 109.21 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 73.22 110.812 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.466 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 97.9 t . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 70.32 111.212 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 1' ' ' LEU . 1.5 mp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.855 0.36 . . . . 75.31 111.142 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.32 149.13 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.2 111.174 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -113.71 168.46 9.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.862 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.77 131.9 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.992 0.425 . . . . 71.33 111.455 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.66 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -100.01 143.93 29.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.931 -0.577 . . . . 71.15 110.29 179.524 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 15.4 t -141.19 112.71 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.869 0.366 . . . . 64.13 111.342 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -94.19 134.76 36.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 72.24 110.395 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.46 169.06 24.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.368 . . . . 73.52 111.464 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 14' ' ' LEU . 13.0 tp -53.88 153.85 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 53.54 111.167 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.549 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 1.4 m-20 -66.49 87.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.14 111.2 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.46 139.76 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.654 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.579 ' HB2' HD12 ' B' ' 29' ' ' ILE . 0.3 OUTLIER -74.43 -35.0 63.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 72.33 110.918 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -61.71 -27.54 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 71.35 111.324 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 18' ' ' VAL . 13.8 mt -60.23 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 72.12 111.013 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' B' ' 32' ' ' ALA . 0.7 OUTLIER -61.72 -32.36 72.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.512 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 10.2 t -70.25 -43.67 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 64.41 110.41 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.34 -41.1 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 74.11 110.466 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 14' ' ' LEU . 38.0 t -66.44 -44.53 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 63.45 110.665 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 m -63.22 -35.8 81.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 72.25 110.496 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 73.3 110.72 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.17 89.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.997 -0.547 . . . . 74.43 110.894 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.756 HD23 HD22 ' A' ' 59' ' ' LEU . 79.9 mt -67.22 -50.93 58.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 75.54 110.729 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.34 70.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.24 -29.63 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.46 22.81 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.025 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 60.58 40.42 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 53.02 111.043 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' LEU . 22.7 t -95.25 102.7 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 63.02 111.108 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -73.71 119.92 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 63.02 110.959 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.33 130.07 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.12 111.114 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 1' ' ' LEU . 40.0 mt -77.15 -35.66 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.863 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -170.94 170.42 6.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.97 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 46' ' ' PHE . . . -168.06 155.04 7.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 42.04 111.132 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -163.63 146.48 9.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.53 111.043 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.739 HG12 ' CB ' ' A' ' 44' ' ' SER . 14.1 m -131.01 142.19 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.135 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -136.55 140.06 42.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.092 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.8 m -68.64 117.78 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.963 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -67.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 63.51 110.858 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.81 -95.35 1.56 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.817 -0.706 . . . . 40.34 112.315 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -118.15 -69.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 74.35 110.724 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.559 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -98.95 34.64 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.559 179.49 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.46 125.88 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 74.23 111.124 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -123.65 124.96 43.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.01 111.234 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.8 mt -89.86 143.2 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.136 -0.484 . . . . 70.43 110.79 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.739 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.1 m -130.41 153.59 48.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 73.14 111.187 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -143.92 149.76 37.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.92 -0.582 . . . . 43.44 110.551 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CD2' ' HB1' ' A' ' 32' ' ' ALA . 11.4 m-85 -149.22 125.49 10.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 64.33 111.217 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -104.16 123.25 46.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.968 -0.56 . . . . 74.21 110.623 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -150.92 135.7 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 74.22 111.096 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -88.81 125.8 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.2 mmt -149.87 165.72 31.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.322 -0.399 . . . . 73.44 111.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.47 -39.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.475 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.44 110.84 7.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.6 0.238 . . . . 72.15 110.916 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.2 -24.17 32.54 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.324 2.016 . . . . 73.44 112.453 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 72.32 111.092 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -77.26 -42.23 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.635 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 6.2 tt -73.64 -32.37 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 75.0 110.1 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.71 -45.1 36.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.794 -0.717 . . . . 74.1 111.645 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.11 -34.37 68.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.836 0.35 . . . . 71.33 110.497 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.2 mt -62.12 -44.36 96.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 71.53 110.667 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.38 81.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 71.12 110.774 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.68 -40.16 93.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 75.44 110.594 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.85 94.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 71.12 110.682 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 59' ' ' LEU . 24.2 t -56.13 -34.16 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 74.43 111.262 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 71.05 110.733 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -78.43 -4.24 47.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.364 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.2 t -77.64 104.15 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-O 120.846 0.355 . . . . 74.54 110.855 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.68 120.98 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.503 . . . . 74.1 110.747 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 72.24 112.623 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.5 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 59.7 t -84.37 125.52 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.843 0.354 . . . . 72.24 111.095 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.99 -55.64 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.256 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -166.72 169.18 13.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.335 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 5' ' ' GLN . 39.9 t -126.68 138.1 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.802 -0.636 . . . . 73.25 111.199 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.42 120.39 18.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.423 -0.353 . . . . 63.23 111.168 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -61.67 111.62 1.92 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 75.24 110.889 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.2 t . . . . . 0 N--CA 1.453 -0.321 0 CA-C-N 116.24 -0.436 . . . . 75.21 111.232 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.1 t . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.801 0.334 . . . . 71.32 111.202 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -116.76 168.52 10.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.131 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' B' ' 48' ' ' PHE . 24.6 mt -140.41 132.12 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.262 -0.426 . . . . 75.25 111.382 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.439 ' HB2' HG23 ' B' ' 75' ' ' VAL . 1.9 tt0 -109.36 105.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.439 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -102.62 112.84 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.207 -0.451 . . . . 54.42 111.555 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' B' ' 43' ' ' ILE . 3.4 tt0 -96.85 134.81 39.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.405 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -159.37 162.18 35.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 75.53 111.383 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.582 ' O ' HD23 ' B' ' 14' ' ' LEU . 3.2 pp -57.24 140.04 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 73.32 110.856 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' B' ' 42' ' ' ALA . 25.3 t0 -60.08 107.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.104 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 164.49 30.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.53 110.776 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -90.5 -48.9 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.15 111.025 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.06 -23.11 58.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.14 111.018 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' B' ' 8' ' ' ALA . 10.3 tp -54.08 -42.23 69.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 70.11 111.075 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.632 HD22 HG11 ' B' ' 34' ' ' VAL . 42.0 tp -57.27 -50.44 72.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 73.21 110.501 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 64.3 m -60.29 -36.84 78.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 63.11 110.188 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.93 -45.23 95.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.536 . . . . 73.14 110.415 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 14' ' ' LEU . 54.4 t -63.1 -50.89 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 75.1 110.687 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -34.32 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.89 -0.596 . . . . 41.42 110.305 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 0.0 OUTLIER -70.2 -45.73 66.01 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.616 179.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.31 -41.98 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.242 0.544 . . . . 70.35 110.31 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.601 HD22 ' CD1' ' B' ' 59' ' ' LEU . 13.6 mt -83.56 -27.96 28.91 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.489 -0.778 . . . . 75.11 110.181 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' B' ' 20' ' ' ARG . . . -59.61 -34.17 72.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.921 -0.581 . . . . 75.2 110.859 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -50.08 -27.42 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 74.53 110.853 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.19 -17.24 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.129 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt 71.44 43.01 0.64 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.937 0.398 . . . . 75.5 110.966 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.35 103.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 53.34 110.69 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.73 107.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 74.34 110.534 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' B' ' 46' ' ' PHE . 2.6 mt -94.71 135.47 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.734 -0.667 . . . . 75.34 110.509 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 47' ' ' THR . 12.4 mt -74.48 -20.8 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 74.53 110.303 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.7 OUTLIER -154.77 134.05 12.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.113 -0.494 . . . . 64.02 110.631 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.496 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -135.88 121.64 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 74.31 110.34 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -157.96 140.89 14.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.007 0.432 . . . . 63.14 111.779 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.632 HG11 HD22 ' B' ' 15' ' ' LEU . 9.4 p -131.19 129.31 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.925 -0.579 . . . . 72.43 111.122 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 34.6 p -136.57 153.74 50.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.055 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -59.8 137.92 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.42 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -61.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.915 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.76 -91.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.421 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.49 ' O ' HG23 ' B' ' 41' ' ' VAL . 0.4 OUTLIER -112.11 105.78 14.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 74.2 110.892 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 60.82 39.61 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.5 t -137.19 154.59 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.108 -0.496 . . . . 72.23 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' B' ' 10' ' ' ASP . . . -139.08 138.15 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 44.34 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.469 HD12 ' OE2' ' B' ' 7' ' ' GLU . 3.5 tt -130.01 127.98 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 62.24 111.266 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 2.4 m -97.9 158.25 15.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 61.43 110.595 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 118.43 12.13 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.267 -0.424 . . . . 75.41 110.367 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.606 ' HB3' HG21 ' B' ' 29' ' ' ILE . 59.1 m-85 -123.4 125.3 44.71 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.143 -0.48 . . . . 74.55 111.283 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.447 ' O ' ' N ' ' B' ' 30' ' ' LEU . 45.0 m -114.39 115.16 26.88 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.831 -0.622 . . . . 74.41 109.963 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' B' ' 4' ' ' ILE . 2.8 p90 -140.4 171.6 13.91 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.272 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.23 165.82 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 73.22 110.608 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.4 ptp -108.96 151.06 26.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.971 0.415 . . . . 70.1 111.296 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.75 -51.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.926 -0.654 . . . . 74.52 112.297 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.47 99.56 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.584 0.23 . . . . 63.05 110.795 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.43 -42.81 40.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.455 2.103 . . . . 52.15 112.591 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -62.74 -37.89 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.623 ' O ' HD23 ' B' ' 59' ' ' LEU . 0.5 OUTLIER -77.56 -41.84 37.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.553 . . . . 74.11 110.555 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 -33.01 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 53.33 110.125 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.69 -41.69 23.42 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.796 -0.716 . . . . 72.44 111.79 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -75.1 -24.31 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.647 0.261 . . . . 73.3 110.983 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.791 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.5 OUTLIER -58.84 -50.91 72.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.021 0.439 . . . . 60.14 111.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.494 HD21 ' HD2' ' B' ' 74' ' ' ARG . 3.0 mp -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.595 . . . . 72.13 110.913 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.32 -38.53 89.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 52.41 110.718 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.01 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.079 -0.51 . . . . 62.43 110.814 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 59' ' ' LEU . 24.4 t -58.13 -31.83 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 53.41 110.989 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -62.51 -25.67 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.92 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.58 -12.09 60.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 73.03 111.377 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 63' ' ' VAL . 40.6 t -65.09 103.96 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-O 120.919 0.39 . . . . 74.32 110.495 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.06 115.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 70.54 110.808 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -16.05 30.08 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.695 -0.765 . . . . 74.01 112.579 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.592 HG12 ' O ' ' B' ' 66' ' ' VAL . 9.8 p -75.6 121.4 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.85 0.357 . . . . 75.03 111.145 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -71.09 -49.72 41.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 75.41 110.914 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.31 165.08 15.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.558 . . . . 71.54 111.077 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.58 HG21 ' HB ' ' B' ' 63' ' ' VAL . 33.1 t -131.51 132.35 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 116.07 -0.514 . . . . 72.14 110.809 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.26 128.98 32.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.82 0.343 . . . . 71.41 111.225 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.494 ' HD2' HD21 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -69.74 110.57 4.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.789 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.468 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 87.0 t . . . . . 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 70.32 111.186 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.877 0.37 . . . . 75.31 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.526 HG23 ' CE ' ' A' ' 50' ' ' MET . 22.0 t -82.21 144.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.2 111.136 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -108.5 167.43 10.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.997 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.688 HD11 ' CE1' ' A' ' 48' ' ' PHE . 27.5 mt -141.92 133.15 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-O 120.899 0.38 . . . . 71.33 111.434 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.517 ' HG3' HG21 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -105.55 104.87 14.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 110.723 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.515 HG13 HG22 ' A' ' 72' ' ' VAL . 21.8 t -103.87 112.7 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.321 -0.4 . . . . 64.13 111.268 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.553 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.4 tt0 -90.63 133.8 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.788 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.681 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.35 166.86 30.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 73.52 111.27 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.9 mt -52.09 149.62 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 53.54 111.017 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.91 76.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.023 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.54 130.15 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.848 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.882 ' ND1' HD12 ' B' ' 29' ' ' ILE . 32.6 t60 -59.03 -21.33 58.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -57.96 -38.64 76.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.86 0.362 . . . . 71.35 110.885 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.0 mm? -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 72.12 110.767 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.8 mm? -59.75 -48.46 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.809 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -60.9 -41.22 95.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.91 -0.586 . . . . 64.41 110.585 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.69 -41.67 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.533 . . . . 74.11 110.569 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 14' ' ' LEU . 37.6 t -66.74 -39.93 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 63.45 110.833 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -65.69 -36.91 85.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 72.25 110.612 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 73.3 110.714 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.39 98.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 74.43 110.943 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.699 HD13 HG12 ' A' ' 29' ' ' ILE . 24.4 mt -65.26 -49.28 70.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 75.54 110.817 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.43 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.508 . . . . 73.12 111.122 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -58.41 -31.1 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 72.31 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -108.94 25.86 11.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 72.53 111.088 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 30.48 15.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.375 . . . . 53.02 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 22' ' ' LEU . 31.0 t -75.86 125.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.065 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -94.09 115.77 28.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 63.02 110.926 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 22' ' ' LEU . 4.0 mp -96.3 129.59 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.134 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.705 HD11 ' HG3' ' A' ' 49' ' ' GLU . 58.4 mt -75.15 -32.05 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 72.1 110.971 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.891 ' OG ' HG23 ' B' ' 35' ' ' THR . 4.8 m -173.18 171.52 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.927 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 45' ' ' ARG . . . -163.94 146.03 9.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 42.04 111.147 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -163.58 129.91 3.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.304 -0.407 . . . . 71.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.8 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.2 p -121.28 141.46 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.276 -0.42 . . . . 74.4 111.461 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 p -136.49 154.12 50.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.891 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 121.07 8.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 71.24 111.015 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -66.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.51 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.26 -113.07 0.78 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 40.34 112.533 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -95.36 103.72 15.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 74.35 110.935 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 64.25 38.32 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 74.31 110.859 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.0 t -137.38 147.4 26.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.142 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.24 120.51 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.8 ' C ' HG23 ' A' ' 34' ' ' VAL . 3.1 tp -97.91 120.25 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.43 111.195 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.537 ' N ' HG23 ' A' ' 34' ' ' VAL . 4.2 p -98.77 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.056 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ALA . 18.3 mtt180 -116.13 117.12 29.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.066 -0.515 . . . . 43.44 110.519 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -112.4 129.43 56.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.325 -0.398 . . . . 64.33 111.346 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -107.9 124.0 49.46 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.984 -0.553 . . . . 74.21 110.608 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CE1' HD11 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.78 171.13 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.149 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.705 ' HG3' HD11 ' A' ' 30' ' ' LEU . 18.4 mt-10 -88.54 165.74 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 64.54 110.842 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.526 ' CE ' HG23 ' A' ' 2' ' ' VAL . 7.6 ptp -109.03 144.52 36.93 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.44 111.103 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.6 -76.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.422 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.34 141.6 23.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.652 0.263 . . . . 72.15 110.823 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.9 -33.35 3.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.497 2.131 . . . . 73.44 112.417 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.525 . . . . 72.32 110.945 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.49 -44.39 28.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 71.35 110.657 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 60' ' ' LEU . 8.3 mp -68.67 -33.88 74.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.062 0.458 . . . . 75.0 110.041 179.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.8 -40.0 37.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.678 -0.772 . . . . 74.1 111.658 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -32.62 70.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.744 0.307 . . . . 71.33 110.793 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.882 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -62.59 -47.16 85.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.02 0.438 . . . . 71.53 110.924 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 56' ' ' LEU . 8.2 mp -58.45 -48.35 81.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 71.12 110.837 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.44 -39.72 91.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.699 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.78 98.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 71.12 110.699 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -56.68 -32.62 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.892 -0.595 . . . . 74.43 111.094 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -60.7 -29.03 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 71.05 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.07 -2.94 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.436 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.0 t -76.4 104.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 120.852 0.358 . . . . 74.54 110.697 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.49 120.65 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 74.1 110.76 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.24 -24.02 19.34 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.728 -0.748 . . . . 72.24 112.606 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 8' ' ' ALA . 52.1 t -83.02 127.36 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.819 0.342 . . . . 72.24 111.089 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -61.18 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 63.24 111.319 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.74 169.16 24.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.076 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.515 HG22 HG13 ' A' ' 6' ' ' VAL . 22.0 t -130.37 135.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.351 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 134.91 40.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.863 0.363 . . . . 63.23 111.264 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -67.17 113.86 5.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.833 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 11.6 t . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.261 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 120.793 0.33 . . . . 71.32 111.256 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -105.37 165.2 11.29 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.163 -0.472 . . . . 72.13 111.062 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.411 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 32.9 mt -144.47 134.91 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.333 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.54 115.72 30.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.093 -0.503 . . . . 65.12 110.743 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -106.96 112.83 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.343 -0.39 . . . . 54.42 111.471 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.605 ' O ' HG13 ' B' ' 69' ' ' VAL . 7.6 tt0 -92.26 136.93 32.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.766 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -159.37 162.55 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 75.53 111.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.766 HD11 ' CG ' ' B' ' 40' ' ' ARG . 0.3 OUTLIER -58.52 127.23 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 73.32 111.0 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.643 ' N ' HD13 ' B' ' 9' ' ' LEU . 24.6 t0 -64.47 89.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.03 110.861 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.575 ' HG3' HD12 ' B' ' 9' ' ' LEU . 46.2 mtp180 -128.14 167.66 16.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.958 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -91.12 55.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.839 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -176.6 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.648 ' O ' HG23 ' B' ' 18' ' ' VAL . 7.6 mt -54.03 -36.3 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 70.11 110.855 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.744 HD23 HG21 ' B' ' 34' ' ' VAL . 3.2 mt -59.57 -54.92 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.527 . . . . 73.21 110.361 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -32.49 70.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 63.11 110.136 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.14 -45.13 93.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 73.14 110.284 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 14' ' ' LEU . 32.3 t -65.9 -42.56 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 75.1 110.487 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.729 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.6 -39.95 80.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 41.42 110.159 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -37.86 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.876 -0.602 . . . . 75.32 110.75 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.99 83.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.733 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.441 HD13 HD11 ' B' ' 29' ' ' ILE . 58.5 mt -71.96 -33.94 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 75.11 110.511 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -24.21 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 75.2 111.175 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.44 -38.86 60.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 74.53 110.96 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -102.97 21.88 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 73.12 110.885 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.4 27.56 8.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 75.5 111.157 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.4 90.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 53.34 110.409 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -63.89 100.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 74.34 111.103 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.882 HD12 ' ND1' ' A' ' 12' ' ' HIS . 6.2 mt -89.05 137.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.01 -0.541 . . . . 75.34 110.077 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' B' ' 47' ' ' THR . 15.9 mt -74.52 -23.31 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 74.53 111.045 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.449 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.3 OUTLIER -150.83 139.61 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.383 -0.371 . . . . 64.02 111.043 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.514 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -137.07 127.54 26.7 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.008 -0.542 . . . . 74.31 110.327 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 45' ' ' ARG . 83.7 p -160.65 133.8 6.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 63.14 111.725 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.744 HG21 HD23 ' B' ' 15' ' ' LEU . 11.5 p -131.18 131.02 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.994 -0.548 . . . . 72.43 111.11 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.891 HG23 ' OG ' ' A' ' 31' ' ' SER . 9.3 m -136.54 143.27 43.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.995 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 36' ' ' THR . 10.2 t -66.83 117.33 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.784 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.434 ' HB3' HD12 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -58.58 -52.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 74.14 110.942 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.773 ' H ' HG23 ' B' ' 41' ' ' VAL . . . 154.6 100.24 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.471 -0.871 . . . . 71.54 113.206 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . 0.821 ' O ' HG22 ' B' ' 41' ' ' VAL . 2.9 t0 81.26 98.0 0.05 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.01 0.434 . . . . 74.2 111.938 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . 0.766 ' CG ' HD11 ' B' ' 9' ' ' LEU . 4.0 ttp180 41.43 33.52 0.29 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.673 -0.694 . . . . 65.54 112.213 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.821 HG22 ' O ' ' B' ' 39' ' ' ASP . 1.2 m -137.75 126.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.253 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.25 50.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 44.34 111.317 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' B' ' 37' ' ' SER . 24.4 mt -130.04 126.35 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.023 -0.535 . . . . 62.24 111.059 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.9 OUTLIER -99.58 160.23 14.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 61.43 110.759 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 33' ' ' SER . 1.0 OUTLIER -141.05 127.95 20.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.323 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' B' ' 29' ' ' ILE . 82.5 m-85 -132.21 125.33 30.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.012 0.434 . . . . 74.55 111.754 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 30' ' ' LEU . 40.3 m -110.87 115.24 29.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.87 -0.605 . . . . 74.41 109.745 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.459 ' HB3' HG23 ' B' ' 29' ' ' ILE . 3.3 p90 -136.28 171.53 14.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.057 0.456 . . . . 75.24 111.327 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.43 ' HG3' HD11 ' B' ' 30' ' ' LEU . 3.0 mt-10 -88.14 165.75 14.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.894 -0.594 . . . . 73.22 110.738 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.4 ptm -108.87 144.31 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.315 -0.402 . . . . 70.1 111.4 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.28 -68.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.999 -0.62 . . . . 74.52 112.172 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.41 128.88 25.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.531 0.205 . . . . 63.05 110.509 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.41 -19.91 16.56 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.479 2.119 . . . . 52.15 112.787 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -43.98 87.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.793 0.33 . . . . 73.14 111.246 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' B' ' 56' ' ' LEU . 7.9 p80 -77.78 -37.98 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.733 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.414 ' N ' ' ND1' ' B' ' 55' ' ' HIS . 0.3 OUTLIER -73.02 -33.44 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 53.33 110.236 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.03 25.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.721 -0.752 . . . . 72.44 111.833 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -78.63 -26.16 45.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.685 0.279 . . . . 73.3 110.915 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.832 ' O ' HG23 ' B' ' 63' ' ' VAL . 6.6 mt -61.79 -46.66 88.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.864 0.364 . . . . 60.14 110.895 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.38 -51.19 70.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 72.13 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -61.08 -34.5 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 52.41 110.664 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.34 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 62.43 110.869 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.832 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.8 t -56.91 -32.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 53.41 111.117 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -61.26 -28.38 69.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.831 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -81.11 0.78 34.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.638 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.9 t -81.31 104.14 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 120.891 0.377 . . . . 74.32 110.652 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.545 ' O ' HD21 ' B' ' 14' ' ' LEU . 2.4 pt-20 -53.64 119.97 5.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.01 -0.541 . . . . 70.54 110.985 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.24 -24.07 19.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.751 . . . . 74.01 112.774 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.605 HG13 ' O ' ' B' ' 7' ' ' GLU . 61.6 t -79.13 123.13 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 75.03 110.876 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -68.72 -59.58 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 75.41 111.087 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -166.7 169.13 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 71.54 111.179 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.431 HG21 HG11 ' B' ' 63' ' ' VAL . 20.7 t -125.48 136.87 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.046 -0.525 . . . . 72.14 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.37 129.02 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 71.41 111.079 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -66.0 114.22 5.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.826 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.412 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 92.4 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.242 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.857 0.36 . . . . 75.31 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.06 149.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.2 111.22 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.481 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -111.46 166.18 11.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.874 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.453 ' HB ' ' CZ ' ' A' ' 46' ' ' PHE . 36.1 mt -144.16 133.85 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.025 0.44 . . . . 71.33 111.533 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.3 tt0 -103.08 130.49 50.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.744 -0.662 . . . . 71.15 110.332 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 8.5 t -124.88 112.87 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.848 0.356 . . . . 64.13 111.417 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.564 ' O ' HG13 ' A' ' 69' ' ' VAL . 28.8 mt-10 -93.25 132.99 36.92 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.619 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.33 170.85 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.374 . . . . 73.52 111.329 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? -52.36 149.69 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 53.54 111.086 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.519 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 13.3 t70 -68.04 78.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.14 111.224 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.595 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -153.49 133.35 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.807 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.576 ' ND1' HD12 ' B' ' 29' ' ' ILE . 2.8 t60 -59.74 -29.08 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.473 -0.33 . . . . 72.33 110.707 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -57.66 -34.83 69.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 71.35 111.131 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.637 HD11 ' HA3' ' A' ' 68' ' ' GLY . 3.0 mm? -60.01 -51.96 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 72.12 110.969 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.743 ' CD1' HG11 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -59.19 -42.39 90.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.97 -0.559 . . . . 73.23 110.717 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -62.78 -40.48 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 64.41 110.519 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.62 -45.86 88.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.582 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 24.5 t -66.2 -36.09 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.99 -0.55 . . . . 63.45 110.625 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 22' ' ' LEU . 67.8 m -66.84 -38.85 87.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.045 -0.525 . . . . 72.25 110.571 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -60.13 -38.77 84.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.57 . . . . 73.3 110.72 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.11 89.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 74.43 110.96 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 19' ' ' THR . 17.4 mt -63.79 -50.97 66.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 75.54 110.773 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.92 69.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.12 111.079 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.16 -30.63 66.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.54 21.88 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.145 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.61 39.65 27.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 53.02 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.8 t -90.08 127.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.02 111.085 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -90.15 115.41 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 63.02 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.38 120.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.082 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.587 HD12 ' CA ' ' A' ' 48' ' ' PHE . 6.2 mt -75.17 -35.62 61.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 72.1 111.009 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -163.23 163.05 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.51 111.07 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' B' ' 34' ' ' VAL . . . -161.28 140.41 10.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.22 -0.446 . . . . 42.04 111.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -163.66 138.53 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 71.53 110.679 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 44' ' ' SER . 13.5 m -130.95 145.52 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.394 -0.366 . . . . 74.4 111.527 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.9 p -136.56 149.18 47.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.055 -0.521 . . . . 73.22 110.87 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 m -77.26 112.88 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.24 111.039 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.46 ' HB2' HD11 ' A' ' 43' ' ' ILE . 8.7 t -63.99 -58.09 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 63.51 110.758 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.697 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -126.92 -91.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 40.34 112.399 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -73.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 74.35 110.92 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.715 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -97.64 33.54 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 74.31 110.546 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.697 HG23 ' H ' ' A' ' 38' ' ' GLY . 3.1 m -137.52 118.52 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.718 -0.673 . . . . 74.23 111.3 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -117.93 125.44 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 74.01 111.223 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 37' ' ' SER . 18.5 mt -89.9 135.46 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 70.43 110.89 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.799 ' HA ' HG12 ' A' ' 34' ' ' VAL . 1.9 m -114.26 148.14 37.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 73.14 111.32 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.0 117.26 9.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 43.44 110.408 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 4' ' ' ILE . 23.7 p90 -138.1 132.66 32.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.031 0.443 . . . . 64.33 111.513 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 m -104.45 138.65 40.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 74.21 110.51 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.587 ' CA ' HD12 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -150.87 166.5 30.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.293 -0.412 . . . . 74.22 111.053 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 30' ' ' LEU . 1.1 mm-40 -88.67 165.69 14.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 64.54 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.09 154.87 21.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.278 -0.419 . . . . 73.44 111.048 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.36 -80.99 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.815 -0.707 . . . . 74.22 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -98.63 139.25 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.602 0.239 . . . . 72.15 110.819 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.37 -32.56 7.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.461 2.107 . . . . 73.44 112.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -65.09 -35.16 80.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 72.32 110.866 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -77.47 -43.93 30.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.35 110.611 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.71 -31.61 66.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 75.0 110.073 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.42 -44.4 27.64 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.695 -0.765 . . . . 74.1 111.837 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -74.13 -30.76 62.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 71.33 110.708 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.879 ' O ' HG23 ' A' ' 63' ' ' VAL . 57.3 tp -63.82 -46.95 82.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 71.53 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.12 -50.07 74.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.766 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -61.55 -38.41 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.559 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.33 94.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.901 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.8 t -57.95 -33.68 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 74.43 110.997 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -61.52 -25.13 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 71.05 110.913 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -90.49 12.27 19.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.44 -0.346 . . . . 74.2 111.765 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 63' ' ' VAL . 26.7 t -83.36 104.26 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.915 0.388 . . . . 74.54 110.7 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.65 120.35 6.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 74.1 110.692 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.637 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.26 -22.98 21.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 72.24 112.735 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 7' ' ' GLU . 41.3 t -83.98 131.89 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 120.852 0.358 . . . . 72.24 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -50.91 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 63.24 111.297 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -166.78 169.12 13.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.146 -0.479 . . . . 73.2 111.232 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.623 HG21 HG11 ' A' ' 63' ' ' VAL . 23.5 t -131.41 138.18 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.066 -0.515 . . . . 73.25 111.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -135.47 124.85 24.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.305 -0.407 . . . . 63.23 111.318 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.34 113.35 4.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 75.24 110.886 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.481 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 94.2 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.21 111.182 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.405 HG11 ' NE ' ' B' ' 74' ' ' ARG . 21.9 t . . . . . 0 N--CA 1.451 -0.385 0 CA-C-O 120.906 0.384 . . . . 71.32 111.189 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -111.84 168.06 9.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.063 -0.517 . . . . 72.13 111.013 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 mt -142.91 132.0 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.308 -0.405 . . . . 75.25 111.275 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.693 ' O ' HG13 ' B' ' 72' ' ' VAL . 2.3 mt-30 -103.85 143.58 32.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.976 -0.556 . . . . 65.12 110.675 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.13 112.83 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.322 -0.399 . . . . 54.42 111.406 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.596 ' O ' HG13 ' B' ' 69' ' ' VAL . 21.4 mt-10 -91.92 140.06 30.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.882 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.48 158.28 31.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.107 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.712 ' O ' HD12 ' B' ' 14' ' ' LEU . 41.2 mt -57.85 134.52 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.15 107.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.038 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -153.38 169.61 22.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.53 110.922 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -101.28 31.25 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.885 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -141.99 -45.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.028 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.712 HD12 ' O ' ' B' ' 9' ' ' LEU . 34.2 mt -56.0 -36.75 68.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 70.11 110.926 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.801 HD11 HG11 ' B' ' 34' ' ' VAL . 0.8 OUTLIER -60.62 -56.78 17.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 73.21 110.294 179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -30.75 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.785 -0.643 . . . . 63.11 110.293 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.56 -46.07 84.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.271 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 14' ' ' LEU . 39.1 t -65.54 -42.53 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.358 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.554 HG22 ' HE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.44 -40.57 81.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 41.42 110.159 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -68.02 -38.58 82.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 75.32 110.755 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -44.05 85.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 70.35 110.71 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.35 -36.41 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.663 . . . . 75.11 110.483 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.8 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 75.2 111.084 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.66 -32.23 50.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.927 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.57 17.33 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 73.12 111.088 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mttt 53.29 30.3 9.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 75.5 111.176 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.65 92.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 53.34 110.637 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.12 106.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 74.34 111.041 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' B' ' 46' ' ' PHE . 4.8 mt -92.54 136.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 75.34 110.349 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 38.5 mt -74.69 -21.63 59.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.53 110.634 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.509 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -158.95 131.35 6.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.24 -0.436 . . . . 64.02 110.822 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.49 130.19 47.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.002 -0.544 . . . . 74.31 110.386 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.412 ' O ' ' N ' ' B' ' 45' ' ' ARG . 52.2 p -160.65 140.55 11.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 120.746 -0.382 . . . . 63.14 111.677 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.801 HG11 HD11 ' B' ' 15' ' ' LEU . 12.0 p -131.15 131.94 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.073 -0.512 . . . . 72.43 111.18 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -136.61 151.57 49.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.946 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.4 p -82.6 139.48 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.736 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -85.32 -30.28 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.915 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.72 -82.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.43 -69.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 74.2 110.777 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.94 35.79 1.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 65.54 110.589 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.29 121.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 72.23 111.296 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.22 145.25 36.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 44.34 110.937 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.736 HD11 ' OG ' ' B' ' 37' ' ' SER . 26.3 mt -130.13 116.16 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.233 -0.439 . . . . 62.24 111.284 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -98.08 152.85 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.672 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.0 OUTLIER -143.75 118.64 9.95 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.406 -0.361 . . . . 75.41 110.463 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.644 ' HB3' HG21 ' B' ' 29' ' ' ILE . 72.6 m-85 -123.02 125.23 44.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.25 -0.432 . . . . 74.55 111.478 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' B' ' 30' ' ' LEU . 35.4 m -109.9 115.34 29.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.714 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.477 ' HB3' HG23 ' B' ' 29' ' ' ILE . 1.1 p90 -144.88 171.54 14.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.063 0.458 . . . . 75.24 111.394 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.2 153.4 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 73.22 110.651 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -108.96 139.1 44.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.923 0.392 . . . . 70.1 111.33 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 -56.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.303 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -106.33 134.53 19.74 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.564 0.221 . . . . 63.05 110.809 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.31 -29.22 6.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.473 2.115 . . . . 52.15 112.497 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -66.32 -36.34 82.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 73.14 111.071 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.42 -44.48 28.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 74.11 110.734 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -31.63 65.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 53.33 110.267 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.79 25.87 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.749 -0.738 . . . . 72.44 112.004 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -77.49 -27.63 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.75 0.309 . . . . 73.3 110.912 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.824 ' O ' HG23 ' B' ' 63' ' ' VAL . 10.7 mt -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 60.14 110.942 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.35 -51.52 69.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 72.13 110.749 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.86 -35.32 76.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 52.41 110.618 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.0 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 62.43 110.768 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.824 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.3 t -56.11 -32.56 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.861 -0.608 . . . . 53.41 111.085 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -60.58 -30.15 69.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 74.12 110.834 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.95 -0.02 37.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.558 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' B' ' 63' ' ' VAL . 23.8 t -80.42 104.25 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.969 0.414 . . . . 74.32 110.59 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 119.27 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 70.54 110.994 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.0 19.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 74.01 112.782 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.596 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.2 t -80.75 123.87 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.831 0.348 . . . . 75.03 111.019 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -61.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.968 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -166.74 169.1 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.912 -0.585 . . . . 71.54 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.693 HG13 ' O ' ' B' ' 5' ' ' GLN . 21.9 t -121.5 140.43 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.106 -0.497 . . . . 72.14 111.15 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.38 127.99 30.79 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.389 -0.369 . . . . 71.41 111.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.405 ' NE ' HG11 ' B' ' 2' ' ' VAL . 9.6 ttt180 -65.39 109.18 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.824 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.9 t . . . . . 0 N--CA 1.453 -0.325 0 CA-C-N 116.277 -0.419 . . . . 70.32 111.207 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.895 0.379 . . . . 75.31 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.623 HG13 ' NE ' ' A' ' 74' ' ' ARG . 30.9 t -82.28 138.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 64.2 111.218 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -103.57 156.1 18.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.993 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 27.1 mt -138.8 136.96 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.331 -0.395 . . . . 71.33 111.485 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -110.39 113.32 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.159 -0.473 . . . . 71.15 110.415 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 72' ' ' VAL . 21.6 t -109.42 112.8 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.867 0.365 . . . . 64.13 111.509 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.68 126.72 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 72.24 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.41 166.83 30.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.851 0.357 . . . . 73.52 111.388 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 40' ' ' ARG . 4.0 mm? -56.01 141.55 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 53.54 110.825 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.458 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 8.8 p-10 -62.24 82.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 71.14 111.147 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' ND2' ' B' ' 28' ' ' ASN . 6.4 mtt-85 -153.46 125.67 7.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.866 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.872 ' CD2' HD11 ' A' ' 15' ' ' LEU . 10.3 t-80 -61.02 -19.4 61.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 72.33 110.888 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -35.96 82.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 71.35 110.62 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.74 HD13 ' HB1' ' A' ' 8' ' ' ALA . 72.1 mt -67.44 -58.54 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 72.12 110.873 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.872 HD11 ' CD2' ' A' ' 12' ' ' HIS . 4.6 pp -56.75 -33.75 66.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.04 -0.527 . . . . 73.23 110.525 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.689 ' N ' HD12 ' A' ' 15' ' ' LEU . 31.3 t -67.83 -47.46 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 64.41 110.528 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.464 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 14' ' ' LEU . 28.5 t -69.96 -37.98 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 63.45 110.698 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.724 ' HA ' HD12 ' A' ' 22' ' ' LEU . 57.7 m -65.86 -37.55 86.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 72.25 110.5 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -59.91 -40.43 88.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 73.3 110.534 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.2 84.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.804 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 19' ' ' THR . 26.0 mt -64.17 -52.82 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 75.54 110.682 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.56 81.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.933 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.44 -29.42 69.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.79 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -98.32 15.6 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.53 111.233 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.16 31.18 19.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.787 0.327 . . . . 53.02 111.008 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 25' ' ' GLU . 28.1 t -84.33 102.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 63.02 111.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -72.46 114.43 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.965 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -96.34 127.8 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.12 111.046 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -75.14 -33.75 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 72.1 111.016 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 p -173.16 171.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 72.51 110.807 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.51 152.59 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 42.04 111.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 m -163.63 139.0 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.911 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.726 HG12 ' CB ' ' A' ' 44' ' ' SER . 8.1 m -130.99 135.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.399 -0.364 . . . . 74.4 111.435 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 144.78 44.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.923 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -59.57 117.85 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.106 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.688 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.5 t -67.89 -42.14 81.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 63.51 110.955 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.584 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -177.23 -101.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 40.34 112.599 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 41' ' ' VAL . 7.8 p-10 -100.04 110.59 22.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 74.35 111.042 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.736 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER 53.36 35.48 20.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 74.31 111.107 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.584 HG23 ' H ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -137.42 139.22 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.031 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -133.22 122.93 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 74.01 111.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.688 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.4 mt -89.81 109.29 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.029 -0.532 . . . . 70.43 111.022 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.726 ' CB ' HG12 ' A' ' 34' ' ' VAL . 4.3 m -98.01 140.75 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.843 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -129.49 117.24 20.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.276 -0.42 . . . . 43.44 110.734 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -113.14 125.59 54.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.302 -0.408 . . . . 64.33 111.169 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.4 m -109.87 122.17 46.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.037 -0.529 . . . . 74.21 110.71 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.78 171.12 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 74.22 111.081 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 119.06 21.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.095 -0.502 . . . . 64.54 110.944 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 mmm -149.97 165.85 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.916 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.6 25.8 3.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 74.22 112.601 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.5 99.63 25.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.556 0.217 . . . . 72.15 110.899 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.08 -41.88 71.77 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.395 2.063 . . . . 73.44 112.387 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -33.15 75.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.998 -0.546 . . . . 72.32 110.931 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -77.42 -42.48 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 71.35 110.7 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -74.3 -32.63 62.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 75.0 110.128 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.56 -39.04 31.06 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 74.1 111.906 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -78.7 -30.5 46.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.713 0.292 . . . . 71.33 110.784 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.864 ' O ' HG23 ' A' ' 63' ' ' VAL . 7.9 tt -64.11 -48.15 77.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.933 0.397 . . . . 71.53 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -48.62 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.856 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.98 -39.92 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.603 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.35 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 71.12 110.751 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.8 t -56.97 -30.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 74.43 110.95 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -60.11 -30.42 69.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.05 110.787 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -78.99 -2.7 41.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.444 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.8 t -76.19 104.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.88 0.372 . . . . 74.54 110.791 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.534 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt0 -53.12 118.71 3.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.675 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.48 28.23 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.656 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 8' ' ' ALA . 60.0 t -88.28 128.21 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.24 111.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.32 -55.52 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 63.24 111.328 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -163.32 169.14 19.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 73.2 111.35 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG21 HG11 ' A' ' 63' ' ' VAL . 24.5 t -131.25 132.68 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.205 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 131.17 35.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.803 0.335 . . . . 63.23 111.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.623 ' NE ' HG13 ' A' ' 2' ' ' VAL . 33.3 ttt180 -68.17 121.33 15.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.759 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.48 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 18.1 t . . . . . 0 N--CA 1.452 -0.325 0 CA-C-N 116.346 -0.388 . . . . 75.21 111.264 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.454 -0.252 0 CA-C-O 120.857 0.36 . . . . 71.32 111.308 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.659 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -124.69 171.15 10.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.135 -0.484 . . . . 72.13 110.927 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' B' ' 48' ' ' PHE . 21.7 mt -141.71 131.96 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.363 -0.381 . . . . 75.25 111.484 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.74 106.13 16.5 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.483 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . 0.46 HG13 HG22 ' B' ' 72' ' ' VAL . 21.0 t -102.57 112.88 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.925 0.393 . . . . 54.42 111.625 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 69' ' ' VAL . 5.1 tt0 -95.84 134.71 38.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.073 -0.512 . . . . 75.13 110.693 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.669 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -159.39 162.36 35.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 75.53 111.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.615 ' O ' HD23 ' B' ' 14' ' ' LEU . 6.1 mt -58.87 136.87 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.949 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' B' ' 41' ' ' VAL . 13.9 t70 -61.15 86.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.881 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.03 149.1 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 62.53 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -71.23 -42.38 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -32.86 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.886 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.669 HD21 ' HB1' ' B' ' 8' ' ' ALA . 10.2 tp -57.55 -46.65 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 70.11 110.826 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.727 HD13 HG21 ' B' ' 34' ' ' VAL . 33.6 tp -57.69 -47.22 82.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 73.21 110.516 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.7 m -63.03 -32.7 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.791 -0.64 . . . . 63.11 110.342 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -46.42 80.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.555 . . . . 73.14 110.437 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 14' ' ' LEU . 40.6 t -63.31 -46.95 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.496 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.455 HG23 ' NE2' ' A' ' 12' ' ' HIS . 21.7 m -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.775 -0.648 . . . . 41.42 110.095 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -39.53 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 75.32 110.688 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.98 -44.56 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 70.35 110.599 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.604 HD23 HD11 ' B' ' 59' ' ' LEU . 1.8 mt -74.02 -35.87 64.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.674 . . . . 75.11 110.392 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -28.73 69.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 75.2 111.065 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.11 -30.67 49.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.968 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.61 16.8 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.253 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt 54.76 33.36 19.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.419 -0.355 . . . . 75.5 111.103 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 22' ' ' LEU . 61.1 t -59.52 89.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 53.34 110.551 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . 0.406 ' ND2' ' NH1' ' A' ' 11' ' ' ARG . 13.2 t-20 -63.88 107.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.02 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.694 HD12 ' CD2' ' A' ' 12' ' ' HIS . 3.4 mt -96.24 135.32 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.882 -0.599 . . . . 75.34 110.264 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.5 mt -74.56 -21.27 59.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 74.53 110.45 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.446 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -156.19 131.3 9.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.554 179.22 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.537 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -131.21 128.79 40.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.09 -0.505 . . . . 74.31 110.606 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.7 p -161.09 140.62 10.55 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.969 0.414 . . . . 63.14 111.671 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.727 HG21 HD13 ' B' ' 15' ' ' LEU . 9.8 p -131.1 135.02 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.995 -0.548 . . . . 72.43 111.018 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 t -136.64 153.97 50.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.043 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.65 121.51 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.821 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -28.02 54.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.064 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.805 ' N ' HG23 ' B' ' 41' ' ' VAL . . . 167.44 -125.88 1.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.621 -0.8 . . . . 71.54 112.535 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.1 108.42 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 74.2 110.919 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 56.19 37.88 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 65.54 111.048 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.805 HG23 ' N ' ' B' ' 38' ' ' GLY . 1.4 m -137.34 142.69 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.006 -0.543 . . . . 72.23 111.161 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.05 126.63 28.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 44.34 111.047 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.407 HG23 ' O ' ' B' ' 43' ' ' ILE . 2.8 tt -112.14 126.49 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 156.96 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 61.43 110.666 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -138.15 117.91 13.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.315 -0.402 . . . . 75.41 110.461 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.629 ' HB3' HG21 ' B' ' 29' ' ' ILE . 61.8 m-85 -122.54 125.18 45.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.236 -0.438 . . . . 74.55 111.347 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 30' ' ' LEU . 30.4 m -112.85 115.39 28.39 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.845 -0.616 . . . . 74.41 109.761 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.717 ' CZ ' HD11 ' B' ' 56' ' ' LEU . 1.0 OUTLIER -145.11 171.15 14.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.997 0.427 . . . . 75.24 111.635 -179.23 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -88.57 164.31 15.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.836 -0.62 . . . . 73.22 110.872 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.7 ttp -109.13 162.14 14.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.349 -0.387 . . . . 70.1 111.178 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.15 -70.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.815 -0.707 . . . . 74.52 112.376 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.01 100.82 30.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.613 0.244 . . . . 63.05 110.696 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.29 -25.3 9.66 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.613 2.209 . . . . 52.15 112.69 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -44.35 96.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 73.14 111.066 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . 0.529 ' NE2' HD12 ' B' ' 56' ' ' LEU . 2.3 p-80 -77.63 -40.7 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.46 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.717 HD11 ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -64.46 -39.79 94.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 53.33 109.869 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -41.45 58.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.716 -0.754 . . . . 72.44 111.465 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -33.34 73.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.293 . . . . 73.3 110.845 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.877 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.3 OUTLIER -63.91 -47.99 78.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.385 . . . . 60.14 110.958 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.41 -50.17 74.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 72.13 110.856 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.92 -36.81 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 52.41 110.645 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 62.43 110.833 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.877 HG23 ' O ' ' B' ' 59' ' ' LEU . 16.7 t -57.27 -32.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 53.41 111.065 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -60.72 -27.95 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.806 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -83.54 3.47 32.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.624 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.9 t -81.5 104.21 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 120.932 0.396 . . . . 74.32 110.727 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.94 120.11 5.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.987 -0.551 . . . . 70.54 110.852 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.438 ' HA2' HD12 ' B' ' 9' ' ' LEU . . . 110.11 -24.04 19.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 74.01 112.622 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.487 HG13 ' O ' ' B' ' 7' ' ' GLU . 45.5 t -82.17 122.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 75.03 111.047 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -60.81 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.83 169.08 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 71.54 110.989 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.677 HG21 HG11 ' B' ' 63' ' ' VAL . 21.7 t -130.17 137.57 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.185 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.22 125.02 25.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.211 -0.45 . . . . 71.41 111.099 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -65.93 112.74 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 17.4 t . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 70.32 111.158 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.794 0.331 . . . . 75.31 111.199 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.07 144.94 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.197 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -99.57 162.25 13.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.264 -0.425 . . . . 74.21 110.986 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.666 HD11 ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt -142.53 132.02 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 71.33 111.588 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.474 ' HB2' HG22 ' A' ' 75' ' ' VAL . 5.3 tt0 -106.37 108.45 19.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.09 -0.505 . . . . 71.15 110.504 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.446 HG13 HG22 ' A' ' 72' ' ' VAL . 18.5 t -104.24 112.93 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 120.868 0.366 . . . . 64.13 111.617 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.552 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.7 mt-10 -92.72 125.69 37.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.564 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.41 157.0 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 73.52 111.386 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.725 ' CD1' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -52.05 151.57 3.63 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.219 -0.446 . . . . 53.54 110.742 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.453 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 31.7 p-10 -64.18 87.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 71.14 111.769 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.626 HH21 HD22 ' A' ' 9' ' ' LEU . 4.0 tpp180 -153.74 116.94 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.598 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.658 ' ND1' HD12 ' B' ' 29' ' ' ILE . 2.0 t60 -53.34 -29.24 33.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.764 0.316 . . . . 72.33 110.85 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -52.18 -30.17 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.355 -0.384 . . . . 71.35 110.839 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.876 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.0 mm? -67.54 -45.96 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.12 110.54 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.639 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.5 mm? -61.13 -46.68 89.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.801 -0.636 . . . . 73.23 110.643 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 t -63.61 -40.21 96.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 64.41 110.428 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -41.78 96.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.6 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 14' ' ' LEU . 39.5 t -68.3 -36.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 63.45 110.792 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.621 HG22 ' OG ' ' B' ' 16' ' ' SER . 65.9 m -68.42 -38.68 81.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.25 110.504 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -40.45 97.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 73.3 110.665 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.88 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 74.43 110.886 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.644 HD13 HG12 ' A' ' 29' ' ' ILE . 10.3 mt -66.26 -46.29 77.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.696 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.07 75.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.858 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.96 -29.49 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.722 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 4.3 mp0 -109.95 28.41 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.941 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 5.6 pttt 47.0 31.78 1.65 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 53.02 111.127 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.81 111.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 63.02 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -80.1 117.6 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.644 HG12 HD13 ' A' ' 22' ' ' LEU . 3.3 mp -96.34 131.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.08 -33.5 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 72.1 111.167 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.652 ' OG ' HG23 ' B' ' 35' ' ' THR . 4.3 m -173.12 171.59 4.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 72.51 111.084 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.71 145.0 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 42.04 111.046 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -163.56 135.5 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 71.53 111.067 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.727 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.3 p -131.06 140.11 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.351 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -136.57 139.82 42.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -68.29 115.56 7.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.963 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.457 ' HB3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.91 -51.01 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 63.51 110.87 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -129.95 -91.78 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.824 -0.703 . . . . 40.34 112.411 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.94 -73.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 74.35 110.834 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -97.38 34.0 1.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 74.31 110.515 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.5 m -137.43 111.43 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.753 -0.658 . . . . 74.23 111.375 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -111.83 119.38 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.009 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.727 ' C ' HG23 ' A' ' 34' ' ' VAL . 26.4 mt -89.87 116.66 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.43 111.225 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.496 ' OG ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -97.97 148.97 22.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.755 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . 0.544 ' HD3' HG21 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -140.45 117.17 10.94 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.183 -0.462 . . . . 43.44 110.579 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -118.32 143.69 46.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.153 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.6 m -124.83 128.0 48.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.6 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 4' ' ' ILE . 2.0 p90 -150.64 170.82 18.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.315 -0.402 . . . . 74.22 111.088 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -137.33 112.0 8.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.086 -0.506 . . . . 64.54 110.943 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -150.01 153.65 36.88 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.955 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.43 26.39 13.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.484 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.37 101.59 36.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.52 0.2 . . . . 72.15 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.44 -37.47 17.3 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.389 2.06 . . . . 73.44 112.32 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.01 82.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.027 -0.533 . . . . 72.32 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -40.68 43.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 71.35 110.438 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -32.84 72.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 75.0 109.902 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.37 -44.0 29.29 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 74.1 111.638 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -30.89 68.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 71.33 110.693 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.1 -49.88 72.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 71.53 110.86 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -46.56 85.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.961 -0.563 . . . . 71.12 110.833 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.743 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.07 97.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.809 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 59' ' ' LEU . 13.1 t -57.73 -29.98 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.883 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -61.42 -29.2 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 71.05 110.807 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -80.68 -1.06 40.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.272 -0.422 . . . . 74.2 111.446 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.4 t -76.11 104.11 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.961 0.41 . . . . 74.54 110.74 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.27 120.78 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.616 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.549 ' HA3' HD11 ' A' ' 9' ' ' LEU . . . 110.14 -23.14 21.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.678 -0.772 . . . . 72.24 112.513 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.696 HG22 ' HB2' ' A' ' 8' ' ' ALA . 38.4 t -87.13 123.51 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.24 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -54.4 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.076 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 73.2 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.526 HG21 ' CG1' ' A' ' 63' ' ' VAL . 21.7 t -131.39 137.07 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.158 -0.473 . . . . 73.25 111.279 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.39 127.83 30.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.282 -0.417 . . . . 63.23 111.324 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.32 113.51 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.763 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 1.4 t . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 75.21 110.871 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t . . . . . 0 N--CA 1.453 -0.283 0 CA-C-O 120.904 0.383 . . . . 71.32 111.33 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.02 157.67 28.38 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.1 -0.5 . . . . 72.13 110.884 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.836 HD11 ' CE1' ' B' ' 48' ' ' PHE . 2.9 mp -137.34 132.06 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.384 -0.371 . . . . 75.25 111.357 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -106.29 106.48 17.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.132 -0.486 . . . . 65.12 110.529 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -103.55 112.89 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.327 -0.397 . . . . 54.42 111.477 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.571 ' O ' HG13 ' B' ' 69' ' ' VAL . 2.8 tp10 -94.13 139.24 31.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.724 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.42 158.72 32.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.333 -0.394 . . . . 75.53 111.152 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.794 ' O ' HD12 ' B' ' 14' ' ' LEU . 0.7 OUTLIER -59.5 140.3 56.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.874 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.78 102.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -153.39 169.19 23.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.845 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.92 31.29 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.831 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.37 -45.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.794 HD12 ' O ' ' B' ' 9' ' ' LEU . 73.8 mt -55.89 -39.77 72.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 70.11 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.676 ' HG ' HG21 ' B' ' 34' ' ' VAL . 9.6 mp -59.21 -55.36 35.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 73.21 110.358 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.621 ' OG ' HG22 ' A' ' 19' ' ' THR . 1.1 m -58.91 -31.01 68.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 63.11 110.197 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.79 -47.68 79.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 73.14 110.379 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 14' ' ' LEU . 47.4 t -64.93 -41.98 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.963 -0.562 . . . . 75.1 110.615 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.541 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.52 -38.5 80.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 41.42 110.21 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.96 -40.26 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 75.32 110.707 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.35 91.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 70.35 110.579 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' B' ' 59' ' ' LEU . 68.1 mt -73.85 -33.55 64.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.836 -0.62 . . . . 75.11 110.613 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.35 -23.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 75.2 111.197 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -52.42 -30.96 32.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.055 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -111.52 18.45 19.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.176 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp 52.43 28.67 6.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 75.5 111.272 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.55 96.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 53.34 110.844 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -64.0 100.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.776 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.658 HD12 ' ND1' ' A' ' 12' ' ' HIS . 16.3 mt -83.42 136.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 75.34 110.728 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 91.3 mt -74.73 -21.47 59.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 74.53 111.194 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.621 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.9 OUTLIER -160.3 131.09 5.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 64.02 111.311 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.639 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -128.2 130.45 48.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.952 -0.567 . . . . 74.31 110.553 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 45' ' ' ARG . 41.3 t -159.6 132.71 6.93 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.828 -0.349 . . . . 63.14 111.509 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.676 HG21 ' HG ' ' B' ' 15' ' ' LEU . 11.5 p -131.06 126.67 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.16 -0.473 . . . . 72.43 111.308 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.652 HG23 ' OG ' ' A' ' 31' ' ' SER . 78.7 m -136.55 152.77 50.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.921 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -84.08 136.86 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.606 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -83.7 -32.4 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.807 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.09 -92.44 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.279 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.28 -69.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 74.2 110.765 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -98.17 34.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.54 110.467 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.482 ' O ' HG13 ' B' ' 41' ' ' VAL . 13.8 p -137.4 119.93 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.795 -0.639 . . . . 72.23 111.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.73 148.04 33.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 44.34 111.036 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.606 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.0 mt -130.11 114.2 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.226 -0.443 . . . . 62.24 111.374 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.04 151.63 20.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.693 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.458 ' NH1' HG11 ' B' ' 75' ' ' VAL . 8.5 mtp85 -138.69 117.31 12.17 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.487 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' B' ' 29' ' ' ILE . 71.1 m-85 -120.96 125.22 46.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.164 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 69.2 m -115.04 115.33 26.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.913 -0.585 . . . . 74.41 109.829 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.836 ' CE1' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -145.78 171.32 14.94 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.023 0.44 . . . . 75.24 111.471 -179.472 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.43 159.86 17.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.853 -0.612 . . . . 73.22 110.608 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ptp -109.04 151.8 25.88 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.281 -0.418 . . . . 70.1 111.249 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.98 -63.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.92 -0.657 . . . . 74.52 112.349 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.38 140.91 21.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.638 0.256 . . . . 63.05 110.78 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.76 -34.92 2.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 52.15 112.489 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.84 -35.37 80.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.973 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -77.54 -43.72 31.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.756 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -32.53 64.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.277 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.42 -39.94 29.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.689 -0.767 . . . . 72.44 111.921 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -77.71 -29.3 51.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.725 0.298 . . . . 73.3 110.881 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.835 ' O ' HG23 ' B' ' 63' ' ' VAL . 8.3 tt -63.72 -48.12 78.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 60.14 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.37 -49.91 75.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.826 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.34 -37.41 83.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 52.41 110.565 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.87 98.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 62.43 110.82 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.835 HG23 ' O ' ' B' ' 59' ' ' LEU . 20.8 t -57.12 -31.68 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 53.41 110.949 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -61.39 -28.69 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.857 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.4 -0.22 36.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 73.03 111.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 63' ' ' VAL . 25.1 t -77.4 104.2 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 120.927 0.394 . . . . 74.32 110.633 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.417 ' O ' HD22 ' B' ' 14' ' ' LEU . 14.3 mt-10 -52.28 119.75 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.913 -0.585 . . . . 70.54 110.939 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.528 ' HA3' HD22 ' B' ' 14' ' ' LEU . . . 110.18 -24.18 19.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 74.01 112.742 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.571 HG13 ' O ' ' B' ' 7' ' ' GLU . 44.1 t -81.62 124.33 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 120.856 0.36 . . . . 75.03 110.988 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -68.42 -59.14 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.964 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.82 169.1 13.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.883 -0.599 . . . . 71.54 111.03 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.481 HG21 HG11 ' B' ' 63' ' ' VAL . 21.5 t -128.3 130.02 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.102 -0.499 . . . . 72.14 111.151 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -135.34 127.81 30.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.348 -0.387 . . . . 71.41 111.173 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.91 117.42 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.458 HG11 ' NH1' ' B' ' 45' ' ' ARG . 98.6 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 70.32 111.237 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 30' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.902 0.382 . . . . 75.31 111.183 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t -82.27 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 64.2 111.258 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -112.53 168.42 9.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.99 -0.55 . . . . 74.21 110.633 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.518 HD12 ' CE2' ' A' ' 48' ' ' PHE . 79.6 mt -148.67 142.63 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.323 -0.399 . . . . 71.33 111.168 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -112.34 130.09 56.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.07 -0.514 . . . . 71.15 110.605 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 72' ' ' VAL . 18.7 t -118.41 112.66 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.911 0.386 . . . . 64.13 111.323 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.7 tt0 -89.23 128.7 35.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.054 -0.521 . . . . 72.24 110.526 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.731 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.49 163.74 35.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.392 -0.367 . . . . 73.52 111.309 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.18 153.69 4.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.846 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.74 ' OD1' HG22 ' A' ' 36' ' ' THR . 30.3 t0 -65.43 77.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 71.14 111.132 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -153.5 125.91 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.745 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.903 ' ND1' HD12 ' B' ' 29' ' ' ILE . 30.3 t60 -57.54 -25.15 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 72.33 110.845 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -35.57 61.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 71.35 110.631 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.819 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.9 mm? -65.76 -43.54 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 72.12 110.617 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD11 ' HB ' ' A' ' 34' ' ' VAL . 3.5 mm? -62.41 -50.39 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.89 -0.595 . . . . 73.23 110.572 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 p -61.33 -37.04 81.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.844 -0.616 . . . . 64.41 110.496 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.85 -43.19 93.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.611 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 14' ' ' LEU . 23.8 t -70.3 -34.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 63.45 110.665 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 m -69.26 -35.39 76.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 72.25 110.461 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -62.08 -40.08 94.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.525 . . . . 73.3 110.62 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.83 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.985 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 27' ' ' VAL . 92.7 mt -64.3 -55.66 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 75.54 110.816 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.09 -32.08 73.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.984 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -29.84 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.929 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -105.09 22.77 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.14 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 56.91 47.16 18.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.874 0.369 . . . . 53.02 110.939 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' LEU . 29.9 t -97.41 122.59 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.139 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -82.24 123.04 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.02 110.797 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.583 HD12 HD23 ' B' ' 15' ' ' LEU . 36.0 mt -96.38 113.52 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.295 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 1' ' ' LEU . 11.1 mt -75.13 -29.9 60.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.819 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.27 166.13 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 72.51 110.703 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.6 145.63 5.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 42.04 111.282 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 91.2 p -163.78 136.97 5.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.338 -0.392 . . . . 71.53 111.182 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 32' ' ' ALA . 11.1 p -131.02 142.56 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.4 111.291 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -136.62 148.23 47.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.853 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.74 HG22 ' OD1' ' A' ' 10' ' ' ASP . 22.5 p -73.0 110.01 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.926 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.735 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -56.69 -66.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 63.51 111.064 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.64 -103.79 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.67 -0.776 . . . . 40.34 112.54 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.5 t0 -100.25 110.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 74.35 111.041 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mmt-85 58.55 38.08 25.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 39' ' ' ASP . 21.4 t -137.31 132.24 45.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 74.23 111.145 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -131.01 116.03 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 74.01 111.211 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.735 HD11 ' OG ' ' A' ' 37' ' ' SER . 18.6 mt -89.82 109.88 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.15 -0.477 . . . . 70.43 110.962 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.01 151.51 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.14 111.144 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -143.76 124.82 14.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.926 -0.579 . . . . 43.44 110.205 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.612 ' HE1' HG11 ' A' ' 18' ' ' VAL . 4.0 m-85 -124.9 131.08 53.48 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.937 0.399 . . . . 64.33 111.546 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -106.45 115.79 30.82 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.886 -0.597 . . . . 74.21 110.386 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CE2' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -150.68 158.92 44.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.219 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.66 163.8 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.901 -0.59 . . . . 64.54 110.749 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.554 ' HG3' HD12 ' A' ' 56' ' ' LEU . 4.8 mmt -148.74 154.7 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 73.44 111.115 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.07 -42.96 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.819 -0.705 . . . . 74.22 112.388 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.83 143.29 26.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.63 0.252 . . . . 72.15 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.32 -31.52 5.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.579 2.186 . . . . 73.44 112.451 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -62.89 -31.6 72.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.086 -0.506 . . . . 72.32 110.987 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.754 ' O ' HD13 ' A' ' 59' ' ' LEU . 20.6 m80 -77.53 -44.38 28.86 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.244 -0.435 . . . . 71.35 110.681 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 50' ' ' MET . 9.8 tt -71.3 -34.13 70.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 75.0 110.231 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.05 -38.57 34.9 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.761 -0.733 . . . . 74.1 111.904 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -75.9 -29.41 58.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.719 0.295 . . . . 71.33 110.889 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 63' ' ' VAL . 3.1 mp -61.46 -49.3 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.938 0.399 . . . . 71.53 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -58.16 -45.43 87.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 71.12 110.862 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.75 -40.89 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.76 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.67 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 71.12 110.822 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.7 t -57.49 -29.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 74.43 110.88 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.74 -30.27 69.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 71.05 110.723 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.75 -4.4 43.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 74.2 111.514 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 63' ' ' VAL . 29.8 t -77.64 104.17 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.898 0.38 . . . . 74.54 110.642 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.608 ' O ' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -53.51 119.6 5.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.033 -0.53 . . . . 74.1 110.719 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.19 -21.72 24.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.777 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 8' ' ' ALA . 46.8 t -84.81 125.34 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 120.881 0.372 . . . . 72.24 111.08 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.31 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 63.24 111.433 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -163.63 169.21 18.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 73.2 111.247 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.55 HG21 HG11 ' A' ' 63' ' ' VAL . 24.1 t -128.85 134.93 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.942 -0.572 . . . . 73.25 111.264 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.62 138.73 43.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.853 0.358 . . . . 63.23 111.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -69.25 122.99 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.79 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 77.7 t . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 75.21 111.148 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . 0.536 HG12 ' CD1' ' B' ' 4' ' ' ILE . 35.7 t . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.03 0.443 . . . . 71.32 111.336 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.787 ' C ' HD12 ' B' ' 4' ' ' ILE . . . -98.69 128.96 45.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.803 -0.635 . . . . 72.13 110.956 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.787 HD12 ' C ' ' B' ' 3' ' ' ALA . 1.7 mp -125.99 142.61 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 75.25 111.215 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.47 127.46 55.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.929 -0.578 . . . . 65.12 110.375 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.35 112.9 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 120.887 0.375 . . . . 54.42 111.516 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.567 ' O ' HG13 ' B' ' 69' ' ' VAL . 2.3 mp0 -92.13 137.31 32.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.13 -0.486 . . . . 75.13 110.634 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.36 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 75.53 111.248 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . 0.768 ' O ' HD12 ' B' ' 14' ' ' LEU . 5.5 tp -57.98 143.45 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.908 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.32 101.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.935 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.24 174.44 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 62.53 110.822 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -97.68 -31.02 12.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.875 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.7 -35.47 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.965 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.768 HD12 ' O ' ' B' ' 9' ' ' LEU . 73.2 mt -60.81 -50.54 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 70.11 110.866 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . 0.609 ' CD1' HG11 ' B' ' 34' ' ' VAL . 48.7 tp -57.67 -49.43 76.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 73.21 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -61.43 -32.72 72.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.928 -0.578 . . . . 63.11 110.502 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -45.76 79.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 73.14 110.553 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 14' ' ' LEU . 21.3 t -63.73 -45.23 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.972 -0.558 . . . . 75.1 110.612 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.457 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -68.64 -40.79 80.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.834 -0.621 . . . . 41.42 110.164 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -35.96 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 75.32 110.719 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.9 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 70.35 110.692 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.554 ' CD2' HD11 ' B' ' 59' ' ' LEU . 19.3 mt -70.8 -32.54 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.797 -0.638 . . . . 75.11 110.621 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -27.24 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 75.2 111.128 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -56.76 -41.31 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 74.53 110.879 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.51 19.7 11.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 73.12 110.935 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm 53.94 26.2 6.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.308 -0.406 . . . . 75.5 111.125 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.2 t -58.38 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 53.34 110.572 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -64.0 100.6 0.32 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 74.34 111.203 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.903 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -92.53 132.54 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.284 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 47' ' ' THR . 9.0 mt -74.55 -22.42 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 74.53 111.2 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.405 ' H ' HG22 ' B' ' 29' ' ' ILE . 1.4 m -141.68 138.54 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 64.02 111.242 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -144.64 121.62 11.36 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.953 -0.567 . . . . 74.31 110.529 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.3 m -161.99 134.72 5.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.802 0.334 . . . . 63.14 111.574 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.609 HG11 ' CD1' ' B' ' 15' ' ' LEU . 11.4 p -131.08 129.5 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.248 -0.433 . . . . 72.43 111.234 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -136.67 154.08 50.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.937 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -84.99 128.2 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.931 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' HD11 ' B' ' 43' ' ' ILE . 2.4 t -69.75 -66.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.892 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.55 -73.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.711 . . . . 71.54 112.429 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -141.06 -68.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.709 0.29 . . . . 74.2 110.891 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.58 37.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.613 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 t -137.33 122.9 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.002 -0.545 . . . . 72.23 111.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.43 114.55 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 44.34 111.001 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' B' ' 37' ' ' SER . 30.6 mt -98.25 116.03 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.286 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 150.48 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.43 110.678 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' B' ' 33' ' ' SER . 8.1 mtt180 -133.53 117.19 16.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.266 -0.425 . . . . 75.41 110.388 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -130.45 125.29 34.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.048 0.451 . . . . 74.55 111.266 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.546 ' O ' HG22 ' B' ' 29' ' ' ILE . 64.6 m -117.62 115.29 24.79 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.822 -0.626 . . . . 74.41 109.981 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.639 ' CE1' HD13 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -128.04 171.26 12.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.958 0.408 . . . . 75.24 111.612 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.24 165.83 14.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 73.22 110.587 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 5.9 ptm -108.85 148.54 30.45 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.958 0.408 . . . . 70.1 111.302 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.89 -61.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.612 . . . . 74.52 112.392 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -106.51 99.9 27.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.504 0.193 . . . . 63.05 110.874 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.27 -31.43 46.46 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.484 2.123 . . . . 52.15 112.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -36.37 83.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.961 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -77.3 -38.67 50.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.576 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.26 -30.97 63.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 53.33 110.047 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -44.61 22.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.773 -0.727 . . . . 72.44 111.845 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -29.48 60.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.31 . . . . 73.3 110.785 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 63' ' ' VAL . 8.3 tt -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.407 . . . . 60.14 110.824 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.76 -51.2 71.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 72.13 110.67 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.09 -36.29 81.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 52.41 110.473 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 62.43 110.692 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.4 t -55.74 -33.66 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 53.41 110.97 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -62.21 -29.58 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.866 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -82.7 2.26 34.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.653 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' B' ' 63' ' ' VAL . 23.1 t -81.08 104.15 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 120.908 0.385 . . . . 74.32 110.713 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.58 119.75 5.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.542 . . . . 70.54 110.926 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 -24.06 19.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.725 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.567 HG13 ' O ' ' B' ' 7' ' ' GLU . 58.8 t -79.99 122.71 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.843 0.354 . . . . 75.03 110.953 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.78 -60.88 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 75.41 110.97 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -166.79 169.16 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 71.54 111.171 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.476 ' CG2' HG11 ' B' ' 63' ' ' VAL . 21.9 t -122.06 129.62 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.928 -0.578 . . . . 72.14 111.101 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.39 135.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.877 0.37 . . . . 71.41 111.253 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 4' ' ' ILE . 0.1 OUTLIER -69.97 120.27 15.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 73.22 110.972 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 19.4 t . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 70.32 111.134 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.854 0.359 . . . . 75.31 111.231 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' VAL . . . . . 0.403 ' CG1' ' CG ' ' A' ' 74' ' ' ARG . 24.2 t -82.17 141.3 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.2 111.229 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . 0.794 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -107.8 165.92 11.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.041 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 3' ' ' ALA . 13.0 mm -139.87 132.08 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.376 -0.374 . . . . 71.33 111.491 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . 0.481 ' HG3' HG21 ' A' ' 75' ' ' VAL . 1.0 OUTLIER -109.12 104.79 14.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.987 -0.552 . . . . 71.15 110.506 179.648 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.488 HG13 HG22 ' A' ' 72' ' ' VAL . 17.9 t -102.98 112.83 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.32 -0.4 . . . . 64.13 111.365 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -90.02 132.86 35.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.24 110.846 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.3 166.88 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.371 -0.377 . . . . 73.52 111.201 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mt -48.44 146.42 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 53.54 111.199 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 35.9 t0 -64.96 82.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 71.14 111.226 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HB3' HD23 ' A' ' 14' ' ' LEU . 4.7 ttm180 -153.54 139.87 18.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.882 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' HIS . . . . . 0.708 ' ND1' HD11 ' A' ' 15' ' ' LEU . 4.6 t60 -71.49 -9.69 58.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.464 -0.334 . . . . 72.33 110.995 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 71.35 110.785 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.4 mm? -62.42 -56.87 14.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.722 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' B' ' 32' ' ' ALA . 1.0 OUTLIER -56.24 -34.04 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.23 110.72 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.437 ' HA ' HG21 ' B' ' 19' ' ' THR . 15.8 p -66.81 -46.61 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.496 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.8 -41.19 97.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.662 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.2 t -66.6 -41.86 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 63.45 110.77 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 72.25 110.556 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -60.94 -37.61 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 73.3 110.658 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.84 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 74.43 110.958 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . 0.652 HD23 HD11 ' A' ' 59' ' ' LEU . 54.7 mt -65.39 -46.18 81.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 75.54 110.818 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.14 -32.56 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.12 111.096 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.89 -32.76 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.946 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.3 tt0 -100.29 19.46 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.189 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.92 34.8 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.082 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 25' ' ' GLU . 23.5 t -82.34 115.36 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 63.02 111.036 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -74.88 111.58 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.02 110.921 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.497 HG12 HD13 ' A' ' 22' ' ' LEU . 3.2 mt -96.38 125.93 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.044 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 49' ' ' GLU . 67.5 mt -75.11 -35.58 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 72.1 111.078 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.555 ' OG ' HG23 ' B' ' 35' ' ' THR . 2.3 m -173.22 171.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 72.51 111.032 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.677 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -166.19 149.12 7.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 42.04 111.164 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.59 130.4 3.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 71.53 110.975 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 44' ' ' SER . 17.9 m -112.19 147.22 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.354 -0.385 . . . . 74.4 111.413 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 t -136.53 134.05 37.12 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.941 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.521 HG22 ' OD2' ' A' ' 10' ' ' ASP . 17.2 p -72.09 102.47 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 71.24 111.118 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 t -90.37 141.77 28.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 63.51 110.701 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.42 -103.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 40.34 112.337 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.78 -69.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 74.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.54 35.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.653 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.3 135.68 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 74.23 111.144 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -126.33 120.15 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.159 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.8 mt -89.9 115.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.111 -0.495 . . . . 70.43 110.809 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.722 ' HA ' HG12 ' A' ' 34' ' ' VAL . 31.4 t -97.96 136.04 38.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 73.14 111.157 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -118.42 141.5 48.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.11 -0.496 . . . . 43.44 110.593 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' PHE . . . . . 0.677 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 16.6 m-85 -147.86 125.52 11.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.994 0.426 . . . . 64.33 111.156 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -110.94 130.03 55.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.53 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -150.76 169.74 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 74.22 111.165 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.8 tm-20 -137.31 116.9 12.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.084 -0.507 . . . . 64.54 111.06 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.531 ' HB2' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -149.86 165.83 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.904 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.92 -32.44 2.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 74.22 112.667 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.42 109.32 1.67 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.596 0.236 . . . . 72.15 110.968 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.05 -33.76 9.2 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.464 2.11 . . . . 73.44 112.376 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -33.38 75.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 72.32 110.897 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -77.44 -44.47 28.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.603 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 50' ' ' MET . 2.1 mp -71.13 -33.52 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.87 -40.3 36.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.707 -0.759 . . . . 74.1 111.84 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -73.44 -32.49 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 71.33 110.773 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 6.3 tp -62.72 -47.07 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.0 0.429 . . . . 71.53 110.944 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.56 -48.94 77.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.852 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.684 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.94 92.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 71.12 110.77 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 17.3 t -57.92 -30.71 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 74.43 110.874 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -61.55 -27.23 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.05 110.951 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -86.63 9.05 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 74.2 111.586 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -85.39 104.21 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.889 0.375 . . . . 74.54 110.858 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -55.27 120.64 7.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 74.1 110.63 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -22.29 23.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 72.24 112.626 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 7' ' ' GLU . 46.5 t -84.58 125.51 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-O 120.815 0.341 . . . . 72.24 111.122 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -73.4 -56.91 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.256 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -166.76 169.16 13.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.98 -0.554 . . . . 73.2 110.962 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 63' ' ' VAL . 20.9 t -126.23 140.78 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.397 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -135.4 127.0 28.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.874 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.403 ' CG ' ' CG1' ' A' ' 2' ' ' VAL . 5.8 ttm180 -69.13 109.3 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.025 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 31.5 t . . . . . 0 N--CA 1.453 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.062 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.853 0.359 . . . . 71.32 111.259 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -105.51 156.54 18.12 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.066 -0.515 . . . . 72.13 111.006 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 58.0 mt -146.49 144.88 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.366 -0.379 . . . . 75.25 111.481 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' GLN . . . . . 0.812 ' HG3' HG21 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -118.93 122.5 42.4 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.106 -0.497 . . . . 65.12 110.617 179.746 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.48 112.79 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.273 -0.421 . . . . 54.42 111.589 -179.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . 0.738 ' CA ' HD12 ' B' ' 43' ' ' ILE . 10.6 tt0 -90.48 130.17 36.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.587 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . 0.812 ' HB1' HD22 ' B' ' 14' ' ' LEU . . . -159.31 161.1 35.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 75.53 111.225 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.11 144.13 24.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.774 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -73.71 76.06 1.55 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 73.03 111.433 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.694 ' HB2' HD12 ' B' ' 14' ' ' LEU . 13.6 mmt180 -126.21 140.23 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 62.53 110.626 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -53.8 -50.5 65.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 73.15 111.447 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -37.32 81.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 73.14 111.175 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' LEU . . . . . 0.837 HD21 ' HA3' ' B' ' 68' ' ' GLY . 0.2 OUTLIER -58.15 -39.66 79.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 70.11 111.045 -179.788 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.77 -52.48 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.458 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.3 m -61.24 -32.48 72.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.837 -0.62 . . . . 63.11 110.295 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.14 -45.06 86.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 73.14 110.626 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 14' ' ' LEU . 42.1 t -65.18 -47.02 89.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 75.1 110.63 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.624 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -67.29 -36.02 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.863 -0.608 . . . . 41.42 110.185 179.485 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -68.59 -39.66 80.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 75.32 110.631 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.14 95.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 70.35 110.655 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' LEU . . . . . 0.708 HD23 HD11 ' B' ' 59' ' ' LEU . 93.7 mt -73.65 -31.49 63.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.813 -0.63 . . . . 75.11 110.602 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.78 -22.8 49.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 75.2 111.25 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.48 -34.47 49.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.386 -0.37 . . . . 74.53 111.017 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -109.3 19.78 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.029 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmpm? 54.02 27.56 7.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.387 -0.37 . . . . 75.5 111.218 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.38 92.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 53.34 110.729 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.96 100.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 74.34 110.882 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' ILE . . . . . 0.662 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.7 mt -84.63 136.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 75.34 110.22 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.837 HD11 ' HG2' ' B' ' 49' ' ' GLU . 8.7 mt -74.4 -25.25 59.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 74.53 110.56 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.1 OUTLIER -151.0 135.19 16.8 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.16 -0.473 . . . . 64.02 110.51 179.254 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.76 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -133.73 126.73 31.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.578 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.2 m -161.82 141.57 10.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.977 0.417 . . . . 63.14 111.698 -179.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -131.09 134.57 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.028 -0.533 . . . . 72.43 111.045 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' THR . . . . . 0.555 HG23 ' OG ' ' A' ' 31' ' ' SER . 1.3 m -136.58 154.01 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.009 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 7.5 t -58.39 137.38 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.898 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.4 t -94.01 -29.5 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.022 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . 0.733 ' N ' HG23 ' B' ' 41' ' ' VAL . . . 169.35 -116.59 0.66 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.529 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.33 106.6 18.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 74.2 110.949 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.8 ttm105 56.7 38.25 29.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 65.54 110.991 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' VAL . . . . . 0.733 HG23 ' N ' ' B' ' 38' ' ' GLY . 2.7 m -137.27 145.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 72.23 111.122 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.3 130.24 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.408 . . . . 44.34 111.049 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' ILE . . . . . 0.738 HD12 ' CA ' ' B' ' 7' ' ' GLU . 1.6 tp -111.46 130.36 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.263 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -97.94 158.16 15.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.53 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 33' ' ' SER . 2.4 ttt-85 -138.93 117.71 12.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.289 -0.414 . . . . 75.41 110.342 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.639 ' HB3' HG21 ' B' ' 29' ' ' ILE . 88.8 m-85 -125.7 125.21 42.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.252 -0.431 . . . . 74.55 111.569 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 48.4 m -112.18 115.06 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.866 -0.606 . . . . 74.41 109.553 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 48' ' ' PHE . . . . . 0.415 ' HB3' HG23 ' B' ' 29' ' ' ILE . 2.7 p90 -138.0 171.42 14.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 75.24 111.583 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.837 ' HG2' HD11 ' B' ' 30' ' ' LEU . 67.2 mm-40 -88.16 165.39 15.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.696 -0.684 . . . . 73.22 110.737 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.07 158.25 17.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.31 -0.404 . . . . 70.1 111.191 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.21 -57.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.839 -0.696 . . . . 74.52 112.547 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.38 100.95 32.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.63 0.253 . . . . 63.05 110.966 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.59 -33.81 60.23 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.503 2.135 . . . . 52.15 112.369 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.23 -38.26 89.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 73.14 110.972 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -77.58 -42.19 36.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 74.11 110.717 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -71.46 -32.91 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.17 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.11 -39.58 26.96 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 72.44 111.879 179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -26.65 52.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.689 0.281 . . . . 73.3 110.889 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 59' ' ' LEU . . . . . 0.824 ' O ' HG23 ' B' ' 63' ' ' VAL . 19.2 tp -62.28 -46.41 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.419 . . . . 60.14 110.997 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.66 -50.76 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.88 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.79 -36.49 81.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 52.41 110.536 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.48 96.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.729 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 63' ' ' VAL . . . . . 0.824 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.4 t -56.5 -30.8 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 53.41 111.003 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -30.88 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.12 110.777 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -76.12 -5.2 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.467 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 66' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 63' ' ' VAL . 35.2 t -75.44 104.13 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.858 0.361 . . . . 74.32 110.601 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.87 119.52 4.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 70.54 110.866 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.837 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.12 -23.83 20.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 74.01 112.768 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.576 HG22 ' HB2' ' B' ' 8' ' ' ALA . 65.3 t -80.42 118.8 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.882 0.373 . . . . 75.03 111.05 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.15 -51.07 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 75.41 111.179 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.7 169.15 13.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.23 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 72' ' ' VAL . . . . . 0.537 HG21 HG11 ' B' ' 63' ' ' VAL . 21.5 t -131.43 136.42 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.047 -0.524 . . . . 72.14 110.961 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.57 138.06 42.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.871 0.367 . . . . 71.41 111.565 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -71.85 117.91 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 73.22 110.565 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.812 HG21 ' HG3' ' B' ' 5' ' ' GLN . 48.7 t . . . . . 0 C--N 1.328 -0.362 0 CA-C-O 121.027 0.441 . . . . 70.32 111.396 -179.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.4 mt . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.877 0.37 . . . . 2.43 111.175 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.05 146.47 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.72 111.221 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.647 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -113.22 170.93 7.86 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.186 -0.461 . . . . 0.57 111.016 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.635 HD11 ' CE2' ' A' ' 48' ' ' PHE . 29.2 mt -136.83 134.07 48.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.333 -0.394 . . . . 0.99 111.462 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.433 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.4 mt-30 -108.03 104.55 14.01 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.093 -0.503 . . . . 1.32 110.435 179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.428 HG13 HG22 ' A' ' 72' ' ' VAL . 20.6 t -103.17 112.66 37.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.255 -0.43 . . . . 0.38 111.568 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.515 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.5 tt0 -90.3 127.94 36.29 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.124 -0.489 . . . . 2.0 110.534 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.846 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.36 165.21 33.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.898 0.38 . . . . 0.42 111.355 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.726 ' O ' HD12 ' A' ' 14' ' ' LEU . 57.4 mt -54.16 148.18 11.63 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.122 -0.49 . . . . 1.81 110.949 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -65.06 84.11 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 2.15 111.278 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -153.71 124.4 7.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 2.88 110.682 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.535 ' CG ' HD12 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -58.27 -30.37 66.54 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.793 0.33 . . . . 1.62 110.645 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.9 -38.56 64.94 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.313 -0.403 . . . . 3.18 110.819 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.846 HD13 ' HB1' ' A' ' 8' ' ' ALA . 75.4 mt -64.87 -43.73 92.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.97 -0.559 . . . . 1.23 110.694 179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 15' ' ' LEU . 3.7 mm? -62.5 -46.1 89.97 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.95 -0.568 . . . . 1.78 110.602 179.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.1 t -61.84 -40.78 96.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.895 -0.593 . . . . 1.19 110.424 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -62.79 -43.48 98.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 1.75 110.583 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 14' ' ' LEU . 34.4 t -66.23 -40.01 85.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.016 -0.538 . . . . 0.54 110.837 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.748 ' HA ' HD12 ' A' ' 22' ' ' LEU . 59.9 m -65.6 -36.88 85.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.018 -0.537 . . . . 0.5 110.424 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 45.8 ttt180 -60.98 -41.4 96.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.999 -0.546 . . . . 3.06 110.54 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.52 87.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 0.55 110.816 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 19' ' ' THR . 17.0 mt -65.65 -49.73 67.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.971 -0.559 . . . . 0.64 110.773 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.59 -32.05 73.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.111 -0.495 . . . . 0.58 111.068 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -59.62 -31.05 69.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.271 -0.422 . . . . 1.62 110.926 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.08 23.74 13.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 2.57 111.118 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.4 mttt 56.73 32.44 21.19 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.386 -0.37 . . . . 3.45 111.021 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.3 t -80.94 97.55 3.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.447 . . . . 0.74 111.117 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.21 113.5 6.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 2.25 110.907 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -94.49 128.77 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.75 111.131 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 78.5 mt -78.64 -34.03 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.85 110.957 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -173.02 169.44 4.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.22 111.009 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.09 151.73 5.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.41 111.227 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.4 t -163.72 132.82 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 1.47 110.776 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.462 HG23 ' C ' ' A' ' 43' ' ' ILE . 9.8 p -123.27 140.78 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 116.326 -0.397 . . . . 1.18 111.424 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.7 p -136.75 151.49 49.27 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.029 -0.532 . . . . 1.49 110.769 179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -74.13 108.94 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.425 . . . . 1.53 111.055 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.778 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -59.14 -56.32 23.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.404 . . . . 1.41 110.876 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.638 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -129.73 -87.7 0.49 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.833 -0.698 . . . . 1.34 112.406 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -122.73 -76.42 0.59 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.758 0.313 . . . . 2.69 110.73 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.3 mtt180 -96.81 33.35 1.89 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.06 0.457 . . . . 4.06 110.417 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.638 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.1 m -137.96 125.86 30.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.678 -0.692 . . . . 1.33 111.16 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -124.91 125.91 44.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.262 -0.427 . . . . 0.48 111.305 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.778 HD11 ' OG ' ' A' ' 37' ' ' SER . 8.1 mt -89.64 111.12 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.067 -0.515 . . . . 1.72 110.815 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -97.85 129.81 44.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.22 111.233 -179.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -111.25 142.16 43.82 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.061 -0.518 . . . . 3.33 110.61 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -141.59 125.45 17.08 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.923 0.392 . . . . 2.08 111.365 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -110.43 116.28 31.15 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.971 -0.559 . . . . 0.82 110.583 179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.4 OUTLIER -151.1 146.84 26.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.293 -0.412 . . . . 1.52 111.166 -179.885 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -88.74 145.44 25.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 2.47 110.806 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.437 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 1.1 mmt -150.06 161.46 42.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 4.78 111.088 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -126.76 -41.54 0.31 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.79 -0.719 . . . . 1.2 112.453 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -86.76 133.15 40.28 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 120.543 0.211 . . . . 1.99 110.928 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -78.04 -27.9 5.33 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.53 2.153 . . . . 1.21 112.46 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -60.02 -37.38 79.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 3.3 110.971 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -76.21 -44.53 37.33 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 2.88 110.558 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.659 ' O ' HD12 ' A' ' 60' ' ' LEU . 0.4 OUTLIER -67.42 -31.99 72.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 1.89 110.059 179.141 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.82 -43.8 33.6 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.773 -0.727 . . . . 0.78 111.851 179.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -69.74 -31.03 68.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.727 0.299 . . . . 2.6 110.954 179.657 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.2 OUTLIER -61.34 -47.8 84.26 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.943 0.401 . . . . 1.62 111.019 -179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.659 HD12 ' O ' ' A' ' 56' ' ' LEU . 0.3 OUTLIER -58.33 -48.2 81.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.988 -0.551 . . . . 1.32 110.924 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.49 -38.59 87.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 1.97 110.733 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.9 97.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.104 -0.498 . . . . 0.63 110.82 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 12.1 t -57.72 -29.78 35.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.048 -0.524 . . . . 0.51 110.853 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -60.76 -29.77 69.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 2.91 110.776 179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -80.17 -1.57 40.98 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 1.37 111.519 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.5 t -77.87 103.49 5.01 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-O 120.811 0.338 . . . . 0.54 110.869 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -52.56 120.12 5.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.142 -0.481 . . . . 2.43 110.661 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.46 -21.18 24.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.683 -0.77 . . . . 0.47 112.563 -179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.627 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.9 t -87.37 124.25 40.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.43 111.073 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -73.01 -54.82 7.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 2.39 111.165 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -166.82 169.3 13.39 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.03 -0.532 . . . . 1.97 111.041 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.428 HG22 HG13 ' A' ' 6' ' ' VAL . 25.3 t -126.54 139.54 51.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.48 111.258 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -135.77 124.59 23.99 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.212 -0.449 . . . . 1.9 111.048 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.4 mtp180 -63.54 113.7 3.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.43 . . . . 3.09 110.821 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.647 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.7 t -85.85 137.83 20.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 0.72 111.262 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 p -148.56 162.41 39.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 2.52 110.877 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 68.7 m -133.29 163.65 28.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 4.53 110.93 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -144.68 142.16 29.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 4.69 111.104 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.196 -0.907 . . . . 6.73 111.114 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.456 HD12 ' CD1' ' B' ' 30' ' ' LEU . 2.8 tp . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.815 0.34 . . . . 1.97 111.166 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 28.1 t -82.1 138.37 19.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.81 111.242 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.602 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -98.68 167.88 10.5 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.15 -0.477 . . . . 0.51 111.074 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.493 HD11 ' HE1' ' B' ' 48' ' ' PHE . 34.3 mt -142.23 131.96 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.349 -0.387 . . . . 1.22 111.452 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -107.15 113.39 26.79 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-N 116.116 -0.493 . . . . 1.33 110.708 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -104.43 112.85 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.304 -0.407 . . . . 0.35 111.399 -179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.608 ' O ' HG13 ' B' ' 69' ' ' VAL . 5.6 tt0 -94.09 135.2 35.71 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.183 -0.462 . . . . 1.94 110.801 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.517 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -159.37 161.68 35.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.852 0.358 . . . . 0.49 111.201 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 18.2 mt -57.24 142.14 44.11 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.201 -0.454 . . . . 1.99 110.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.505 ' HA ' ' HB2' ' B' ' 42' ' ' ALA . 33.2 t0 -65.63 90.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 2.09 111.067 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt180 -136.14 171.09 14.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 3.09 110.801 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -96.42 -12.57 24.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 2.34 111.333 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mtt180 -100.5 -33.71 10.22 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.816 0.341 . . . . 3.64 110.924 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.669 HD21 ' O ' ' B' ' 67' ' ' GLU . 12.6 mt -58.41 -40.72 83.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 1.39 110.958 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.833 HD11 HG11 ' B' ' 34' ' ' VAL . 0.2 OUTLIER -60.17 -56.96 15.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.06 -0.518 . . . . 1.96 110.316 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 m -58.85 -28.78 66.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.807 -0.633 . . . . 1.39 110.204 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.32 -48.11 74.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.012 -0.54 . . . . 1.56 110.327 179.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.465 HG23 ' O ' ' B' ' 14' ' ' LEU . 47.2 t -65.41 -44.09 94.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.002 -0.544 . . . . 0.46 110.413 179.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.521 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.88 -37.38 84.31 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.821 -0.627 . . . . 0.74 110.098 179.303 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.05 -44.97 59.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.765 -0.652 . . . . 2.82 110.853 179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -55.04 -44.03 74.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.022 -0.535 . . . . 0.59 110.74 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.553 HD12 ' HE2' ' B' ' 46' ' ' PHE . 40.8 mt -78.64 -32.7 47.42 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.782 -0.644 . . . . 0.6 110.551 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.77 -27.36 68.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.075 -0.512 . . . . 0.75 111.063 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -50.86 -28.3 9.25 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.3 -0.409 . . . . 2.02 111.035 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -109.04 16.34 22.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 2.25 111.185 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.5 mttt 50.95 30.33 5.19 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.464 -0.334 . . . . 2.75 111.264 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 40.4 t -57.93 97.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.54 110.747 179.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -63.72 110.58 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.456 . . . . 2.07 110.834 -179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.626 HG22 ' H ' ' B' ' 31' ' ' SER . 17.4 mt -96.38 136.39 27.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 115.837 -0.619 . . . . 0.47 110.65 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' B' ' 47' ' ' THR . 94.2 mt -74.23 -22.29 59.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.75 111.037 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.626 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -163.04 130.83 3.68 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.056 0.455 . . . . 1.23 111.115 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.4 126.84 41.44 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 115.955 -0.566 . . . . 0.4 110.508 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 21.3 p -156.75 141.18 16.67 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 1.2 111.606 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.833 HG11 HD11 ' B' ' 15' ' ' LEU . 10.5 p -131.37 134.61 60.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 CA-C-N 115.955 -0.566 . . . . 0.67 111.142 179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 28.8 p -136.76 143.83 43.46 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.123 -0.489 . . . . 1.56 110.967 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 72.5 p -76.39 128.16 34.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 1.44 110.964 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.444 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -70.38 -67.71 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 1.69 110.898 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -70.45 0.34 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.821 -0.704 . . . . 1.42 112.442 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -144.56 -68.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.815 0.341 . . . . 2.22 110.809 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -97.04 37.88 1.28 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 3.9 110.578 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 122.5 24.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.0 -0.546 . . . . 1.61 111.282 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.505 ' HB2' ' HA ' ' B' ' 10' ' ' ASP . . . -113.77 115.84 28.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.128 -0.487 . . . . 0.7 110.968 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.444 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.8 mt -102.87 113.93 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.156 -0.474 . . . . 1.71 111.366 -179.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.433 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 25.0 m -97.9 154.44 17.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 1.09 110.527 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.96 116.69 10.31 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.791 0.329 . . . . 2.84 110.657 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.553 ' HE2' HD12 ' B' ' 22' ' ' LEU . 15.9 m-30 -116.2 124.78 51.11 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.004 -0.543 . . . . 1.35 111.085 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.469 ' O ' ' N ' ' B' ' 30' ' ' LEU . 61.8 m -111.56 117.59 33.41 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-N 116.016 -0.538 . . . . 0.6 109.913 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.493 ' HE1' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -146.35 171.95 14.23 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.946 0.403 . . . . 1.68 111.448 -179.418 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -87.59 162.69 17.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.901 -0.591 . . . . 2.25 110.757 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.466 ' CG ' HD13 ' B' ' 56' ' ' LEU . 0.0 OUTLIER -108.99 163.15 13.56 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.956 0.408 . . . . 5.07 111.261 -179.615 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.56 -64.01 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.929 -0.653 . . . . 1.45 112.219 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -106.48 128.8 25.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 120.57 0.224 . . . . 2.06 110.701 179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -71.35 -29.29 17.1 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.418 2.078 . . . . 1.45 112.404 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -64.92 -37.07 86.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.19 -0.459 . . . . 3.25 110.929 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -76.45 -44.52 35.31 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 2.3 110.645 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.466 HD13 ' CG ' ' B' ' 50' ' ' MET . 6.6 tt -67.03 -32.08 73.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.284 -0.416 . . . . 1.74 110.081 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.46 -44.51 27.01 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.746 -0.74 . . . . 0.78 111.866 179.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -71.27 -26.59 62.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.716 0.293 . . . . 2.38 110.811 179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.779 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.4 OUTLIER -60.84 -54.04 49.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.948 0.404 . . . . 1.76 110.888 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.38 -47.9 80.48 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.964 -0.562 . . . . 1.23 110.786 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -62.15 -35.56 79.16 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.234 -0.439 . . . . 1.74 110.663 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.08 -45.0 82.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.59 110.785 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.779 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.5 t -57.1 -30.86 35.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.854 -0.612 . . . . 0.46 111.005 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 24.7 mtt180 -61.61 -29.99 70.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.141 -0.481 . . . . 2.45 110.74 179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -81.08 0.26 36.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.35 111.569 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' B' ' 63' ' ' VAL . 22.0 t -82.2 103.52 9.5 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.885 0.374 . . . . 0.5 110.78 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.669 ' O ' HD21 ' B' ' 14' ' ' LEU . 14.4 mt-10 -53.7 119.77 5.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.059 -0.518 . . . . 2.66 110.985 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.29 -24.3 18.54 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.79 -0.719 . . . . 0.49 112.79 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.608 HG13 ' O ' ' B' ' 7' ' ' GLU . 46.5 t -80.44 124.91 38.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 CA-C-O 120.811 0.339 . . . . 0.82 110.983 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -68.89 -62.04 1.55 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 2.7 111.012 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.87 169.24 13.37 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.945 -0.57 . . . . 1.56 111.114 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.528 ' CG2' HG11 ' B' ' 63' ' ' VAL . 22.0 t -123.74 136.73 59.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.006 -0.543 . . . . 0.38 111.131 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -135.44 124.81 24.78 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.288 -0.415 . . . . 1.79 111.252 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 86.7 mtm180 -66.1 112.85 4.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 3.18 110.783 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.684 ' O ' HG23 ' B' ' 76' ' ' THR . 21.3 t -85.79 143.08 12.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.68 111.238 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.684 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.3 OUTLIER -176.94 -76.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 2.59 110.799 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 42.0 m 59.1 -174.77 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 4.7 110.975 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -61.31 108.44 0.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 4.79 111.058 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.284 -0.865 . . . . 6.52 111.085 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.485 1.309 0 CA-C-O 120.882 0.372 . . . . 75.31 111.178 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -128.1 143.5 40.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.091 -0.504 . . . . 64.2 111.243 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.433 ' CB ' ' HB ' ' A' ' 75' ' ' VAL . . . -100.62 159.54 15.08 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.169 -0.468 . . . . 74.21 110.956 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.453 HD11 ' CE2' ' A' ' 48' ' ' PHE . 25.2 mt -137.34 134.44 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-O 120.973 0.416 . . . . 71.33 111.666 -179.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.466 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.2 mt-30 -106.9 105.37 15.37 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.975 -0.557 . . . . 71.15 110.332 179.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.6 112.87 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 CA-C-O 120.902 0.382 . . . . 64.13 111.553 -179.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.544 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -93.23 124.18 37.02 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.056 -0.52 . . . . 72.24 110.568 179.501 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.746 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.32 161.75 35.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.926 0.393 . . . . 73.52 111.182 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.483 HD23 ' O ' ' A' ' 40' ' ' ARG . 10.8 mt -49.85 145.19 5.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.131 -0.486 . . . . 53.54 111.011 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.593 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 15.0 p-10 -60.38 86.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.14 111.133 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.8 mtp85 -152.91 121.51 6.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.087 -0.506 . . . . 74.23 110.624 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.549 ' CG ' HD12 ' B' ' 29' ' ' ILE . 1.5 t60 -58.57 -30.77 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.692 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ttt-85 -53.5 -37.46 62.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.336 -0.393 . . . . 71.35 110.831 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.883 ' O ' HG23 ' A' ' 18' ' ' VAL . 27.9 mt -65.69 -42.23 91.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.12 -0.491 . . . . 72.12 110.627 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.8 mm? -62.66 -52.43 63.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.982 -0.553 . . . . 73.23 110.61 179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.0 t -60.99 -35.43 76.8 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.826 -0.624 . . . . 64.41 110.499 179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -65.2 -42.6 93.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.042 -0.526 . . . . 74.11 110.533 179.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.883 HG23 ' O ' ' A' ' 14' ' ' LEU . 26.3 t -67.72 -38.47 80.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.943 -0.571 . . . . 63.45 110.817 179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.462 HG21 HD22 ' B' ' 15' ' ' LEU . 11.4 m -67.28 -37.33 83.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.961 -0.563 . . . . 72.25 110.487 179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -62.56 -40.54 97.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.936 -0.574 . . . . 73.3 110.718 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.03 -38.2 90.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.018 -0.537 . . . . 74.43 110.823 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.494 ' O ' HG23 ' A' ' 27' ' ' VAL . 85.6 mt -66.6 -56.18 11.92 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.977 -0.556 . . . . 75.54 110.799 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.81 -31.09 70.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.028 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -58.29 -29.91 66.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 72.31 110.865 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 55.1 mm-40 -103.7 22.86 13.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.216 -0.447 . . . . 72.53 110.994 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp 62.68 38.66 11.86 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.448 -0.342 . . . . 53.02 110.969 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.494 HG23 ' O ' ' A' ' 22' ' ' LEU . 29.8 t -94.66 121.85 45.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 63.02 111.003 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -91.35 117.45 29.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.027 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.0 mp -94.9 129.05 45.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.031 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 76.9 mt -75.09 -41.49 58.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 72.1 111.051 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.2 t -173.37 171.65 3.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 72.51 111.04 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -160.92 158.14 27.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.192 -0.458 . . . . 42.04 111.199 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.6 t -163.71 124.69 2.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.343 -0.39 . . . . 71.53 110.929 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.542 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.1 p -121.08 139.09 49.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 116.293 -0.412 . . . . 74.4 111.375 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 66.5 m -136.66 137.52 40.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.05 -0.523 . . . . 73.22 110.86 179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -65.34 111.85 3.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 71.24 111.002 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.636 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.8 t -60.67 -66.91 0.45 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.241 -0.436 . . . . 63.51 110.882 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -89.05 1.46 Allowed Glycine 0 N--CA 1.453 -0.175 0 C-N-CA 120.761 -0.733 . . . . 40.34 112.382 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.47 -72.02 0.69 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.835 0.35 . . . . 74.35 110.789 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.483 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.3 OUTLIER -97.27 35.5 1.6 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.039 0.447 . . . . 74.31 110.517 179.586 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.4 121.82 23.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.769 -0.651 . . . . 74.23 111.235 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.593 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -120.17 116.8 26.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.01 111.183 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.636 HD11 ' OG ' ' A' ' 37' ' ' SER . 14.5 mt -89.85 111.82 23.7 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.133 -0.485 . . . . 70.43 110.964 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.04 132.03 43.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.14 111.095 -179.7 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.414 ' HD2' HG11 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -116.47 117.26 29.41 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.178 -0.465 . . . . 43.44 110.428 179.646 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.7 m-85 -109.02 159.36 16.9 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-O 120.954 0.407 . . . . 64.33 111.43 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 63.7 m -145.6 115.27 7.26 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.799 -0.637 . . . . 74.21 110.308 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.453 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.1 p90 -150.78 171.16 17.64 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.336 -0.393 . . . . 74.22 111.218 -179.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -88.53 149.72 23.47 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.07 -0.514 . . . . 64.54 110.701 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.509 ' SD ' HD22 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -109.15 160.48 16.05 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.888 0.375 . . . . 73.44 111.26 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -149.86 -78.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.946 -0.645 . . . . 74.22 112.286 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.84 141.91 23.71 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 120.622 0.249 . . . . 72.15 110.754 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -74.33 -19.15 19.91 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.561 2.174 . . . . 73.44 112.684 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.58 -41.96 87.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.823 0.344 . . . . 72.32 111.19 -179.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 56' ' ' LEU . 8.3 p80 -77.44 -38.17 50.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.733 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.509 HD22 ' SD ' ' A' ' 50' ' ' MET . 6.2 tp -74.84 -32.98 62.08 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.916 0.389 . . . . 75.0 110.084 179.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.75 -41.52 34.19 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.805 -0.712 . . . . 74.1 111.765 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -75.87 -32.71 59.83 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.821 0.343 . . . . 71.33 110.84 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.891 ' O ' HG23 ' A' ' 63' ' ' VAL . 14.1 mt -63.25 -48.01 80.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.53 110.933 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 21.1 mt -57.21 -48.52 78.57 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.04 -0.527 . . . . 71.12 110.822 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -61.12 -40.93 95.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 75.44 110.634 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.22 -40.18 95.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.047 -0.524 . . . . 71.12 110.873 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 59' ' ' LEU . 13.8 t -58.45 -29.86 39.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.116 -0.493 . . . . 74.43 110.898 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 34.4 mtp180 -62.18 -27.22 68.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 71.05 110.842 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.5 m-80 -85.69 6.58 27.04 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 116.288 -0.415 . . . . 74.2 111.568 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.6 t -81.55 104.15 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-O 120.858 0.361 . . . . 74.54 110.797 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -54.18 120.07 5.98 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.08 -0.509 . . . . 74.1 110.675 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.15 -21.77 24.08 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.716 -0.754 . . . . 72.24 112.652 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.652 HG22 ' HB2' ' A' ' 8' ' ' ALA . 25.2 t -87.52 124.7 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 120.789 0.328 . . . . 72.24 111.215 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -73.58 -54.88 7.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 63.24 111.256 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -166.74 169.2 13.62 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.083 -0.508 . . . . 73.2 111.072 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.667 HG21 HG11 ' A' ' 63' ' ' VAL . 21.8 t -131.42 135.89 58.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.157 -0.474 . . . . 73.25 111.339 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 135.17 40.32 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.332 -0.395 . . . . 63.23 111.156 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -67.02 114.26 5.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 75.24 110.901 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.47 HG12 ' N ' ' A' ' 76' ' ' THR . 5.9 t -85.99 161.67 2.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 75.21 111.127 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.47 ' N ' HG12 ' A' ' 75' ' ' VAL . 81.9 p -136.98 -47.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.321 -0.4 . . . . 75.33 110.946 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 62.47 118.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 74.21 110.882 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -144.76 132.33 20.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 51.12 111.126 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.226 -0.893 . . . . 63.12 111.123 179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.619 HD11 ' CD1' ' B' ' 30' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.731 0.3 . . . . 74.32 111.268 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 23.5 t -128.01 140.16 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.337 -0.392 . . . . 71.32 111.344 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -102.84 156.9 17.33 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.129 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' B' ' 48' ' ' PHE . 17.3 mt -134.11 132.01 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 CA-C-N 116.215 -0.448 . . . . 75.25 111.399 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.412 ' HG3' HG21 ' B' ' 75' ' ' VAL . 1.1 mt-30 -107.62 106.5 16.88 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.085 -0.507 . . . . 65.12 110.547 179.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -102.55 112.91 37.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-O 120.906 0.384 . . . . 54.42 111.605 -179.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -97.44 137.66 36.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.063 -0.517 . . . . 75.13 110.594 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.572 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.36 161.82 35.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.917 0.389 . . . . 75.53 111.334 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.437 HD12 ' HB2' ' B' ' 11' ' ' ARG . 3.9 pp -62.21 149.75 40.85 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.056 -0.52 . . . . 73.32 110.886 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -65.66 110.99 2.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.03 111.069 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.437 ' HB2' HD12 ' B' ' 9' ' ' LEU . 1.0 OUTLIER -153.43 132.56 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 62.53 110.81 179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.74 -29.77 60.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.15 111.172 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 7.8 ttp85 -89.72 -19.8 24.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 73.14 111.19 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.599 HD21 ' HA3' ' B' ' 68' ' ' GLY . 0.0 OUTLIER -57.75 -42.54 84.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.91 0.385 . . . . 70.11 110.984 -179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.772 HD11 HG11 ' B' ' 34' ' ' VAL . 0.9 OUTLIER -59.27 -56.92 15.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.991 -0.549 . . . . 73.21 110.457 179.923 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 28.4 m -57.84 -30.46 65.78 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.738 -0.664 . . . . 63.11 110.368 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -65.25 -47.5 76.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.017 -0.538 . . . . 73.14 110.47 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.508 HG23 ' O ' ' B' ' 14' ' ' LEU . 40.5 t -66.66 -40.4 86.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.611 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.53 HG22 ' HE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.27 -37.26 77.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.974 -0.557 . . . . 41.42 110.223 179.461 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 12.9 ttt180 -67.47 -40.49 85.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.904 -0.589 . . . . 75.32 110.652 179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.77 -42.78 89.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 70.35 110.762 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.524 HD23 HD11 ' B' ' 59' ' ' LEU . 83.1 mt -75.07 -33.15 61.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.801 -0.636 . . . . 75.11 110.643 179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.33 -23.32 60.23 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.998 -0.547 . . . . 75.2 111.277 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 17.2 t0 -49.63 -28.15 5.48 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.428 -0.351 . . . . 74.53 111.195 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.06 21.93 10.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.317 -0.401 . . . . 73.12 111.092 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt 51.29 32.11 7.87 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.812 0.339 . . . . 75.5 111.156 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.403 ' O ' HG13 ' B' ' 29' ' ' ILE . 30.6 t -58.68 100.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 53.34 110.855 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -64.44 107.36 1.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.34 110.845 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.549 HD12 ' CG ' ' A' ' 12' ' ' HIS . 8.5 mt -96.36 128.08 47.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.984 -0.553 . . . . 75.34 110.633 179.688 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.619 ' CD1' HD11 ' B' ' 1' ' ' LEU . 23.3 mt -74.66 -30.82 61.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.966 0.413 . . . . 74.53 110.411 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 1.9 m -136.03 131.27 34.73 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.098 -0.501 . . . . 64.02 110.933 179.532 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -136.31 122.16 19.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.025 -0.534 . . . . 74.31 110.482 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 43.9 t -157.02 133.06 9.6 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.931 0.396 . . . . 63.14 111.537 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.772 HG11 HD11 ' B' ' 15' ' ' LEU . 8.1 p -131.19 130.0 63.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.017 -0.538 . . . . 72.43 111.214 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 8.9 t -136.66 154.07 50.73 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.104 -0.498 . . . . 74.23 110.842 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 29.9 p -92.77 127.7 38.37 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 73.42 110.931 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.2 t -97.47 43.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.14 110.804 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 145.21 -120.71 1.41 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.857 -0.687 . . . . 71.54 112.444 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -115.69 -70.06 0.82 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.743 0.306 . . . . 74.2 110.778 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -97.53 36.61 1.47 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.287 -0.415 . . . . 65.54 110.519 179.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 3.6 m -137.33 113.39 11.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.926 -0.579 . . . . 72.23 111.403 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -112.52 145.28 40.54 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.155 -0.475 . . . . 44.34 110.949 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 28.5 mt -130.03 129.23 65.54 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.455 0 CA-C-N 116.255 -0.43 . . . . 62.24 111.411 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.441 ' HB3' ' CE2' ' B' ' 46' ' ' PHE . 12.5 m -116.5 149.22 39.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.749 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -134.82 117.32 15.8 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.461 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.513 ' CD1' HD13 ' B' ' 29' ' ' ILE . 60.5 m-85 -124.23 125.31 44.19 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-O 120.973 0.416 . . . . 74.55 111.502 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.465 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.0 m -112.98 127.62 56.27 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.905 -0.589 . . . . 74.41 109.9 179.237 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.581 ' CE1' HD11 ' B' ' 4' ' ' ILE . 1.9 p90 -144.81 151.12 38.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 75.24 111.499 -179.307 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -103.24 117.35 34.31 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.873 -0.603 . . . . 73.22 110.858 179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.2 mtt -149.94 154.45 38.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.343 -0.39 . . . . 70.1 111.103 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -109.73 -28.11 4.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.774 -0.727 . . . . 74.52 112.445 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.658 ' O ' HD12 ' B' ' 56' ' ' LEU . 1.0 OUTLIER -73.92 110.92 10.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 120.563 0.221 . . . . 63.05 110.845 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 46.4 Cg_endo -68.23 -27.04 35.32 Favored 'Trans proline' 0 C--N 1.347 0.454 0 C-N-CA 122.422 2.082 . . . . 52.15 112.393 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.6 -33.29 72.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.967 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -77.47 -44.44 28.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 74.11 110.648 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.658 HD12 ' O ' ' B' ' 52' ' ' ASP . 4.5 mp -69.93 -32.07 70.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.286 -0.416 . . . . 53.33 110.145 179.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.15 -42.46 28.92 Favored Glycine 0 N--CA 1.449 -0.498 0 C-N-CA 120.714 -0.755 . . . . 72.44 111.891 179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 10.6 m80 -72.48 -29.91 64.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.774 0.321 . . . . 73.3 110.853 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 63' ' ' VAL . 18.9 tp -62.21 -46.57 88.29 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.309 -0.405 . . . . 60.14 110.925 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.77 -50.25 74.64 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.966 -0.561 . . . . 72.13 110.768 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -60.86 -37.63 82.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 52.41 110.634 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.43 -42.18 98.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.05 -0.523 . . . . 62.43 110.667 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 59' ' ' LEU . 19.4 t -56.13 -30.77 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 53.41 111.005 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -60.21 -31.86 70.55 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 74.12 110.72 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.67 -6.52 52.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 73.03 111.444 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.458 HG23 ' HA ' ' B' ' 63' ' ' VAL . 21.6 t -77.39 104.18 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 CA-C-O 120.889 0.376 . . . . 74.32 110.724 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -51.79 120.2 5.03 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.954 -0.567 . . . . 70.54 110.936 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.599 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.16 -24.08 19.37 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.733 -0.746 . . . . 74.01 112.752 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.669 HG11 HG12 ' B' ' 63' ' ' VAL . 99.4 t -78.12 115.13 19.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.886 0.374 . . . . 75.03 110.956 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -69.64 -52.34 26.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 75.41 111.041 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 71.54 111.156 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.454 HG21 HG11 ' B' ' 63' ' ' VAL . 21.3 t -131.02 139.82 50.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 115.962 -0.563 . . . . 72.14 111.079 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 22.4 m-85 -135.44 123.52 22.86 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-N 116.385 -0.37 . . . . 71.41 111.211 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -64.84 113.73 4.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.666 179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.716 ' O ' HG23 ' B' ' 76' ' ' THR . 23.6 t -85.94 148.07 4.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 70.32 111.238 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.716 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.6 OUTLIER -171.86 171.82 5.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.157 -0.474 . . . . 70.41 110.819 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.1 m -172.34 131.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 64.34 110.891 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -60.7 101.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 72.03 111.073 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.179 -0.915 . . . . 72.31 111.133 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.1 mp . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.792 0.329 . . . . 75.31 111.167 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.25 145.48 8.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.253 -0.43 . . . . 64.2 111.239 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.616 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.77 165.09 11.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.133 -0.485 . . . . 74.21 110.928 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.626 HD11 ' CE2' ' A' ' 48' ' ' PHE . 34.2 mt -140.78 139.84 33.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 CA-C-N 116.277 -0.42 . . . . 71.33 111.333 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -109.39 104.68 13.82 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.168 -0.469 . . . . 71.15 110.776 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.445 HG13 HG22 ' A' ' 72' ' ' VAL . 22.0 t -103.27 112.73 37.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.447 0 CA-C-N 116.205 -0.452 . . . . 64.13 111.265 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.582 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.4 mt-10 -92.71 129.96 38.47 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.121 -0.49 . . . . 72.24 110.538 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.658 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.48 164.46 34.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.824 0.345 . . . . 73.52 111.293 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.684 ' O ' HD12 ' A' ' 14' ' ' LEU . 45.6 mt -52.12 144.5 12.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 53.54 111.055 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.549 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 1.5 t70 -64.09 80.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 71.14 111.144 -179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 33.2 mtm180 -153.51 124.93 7.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.228 -0.442 . . . . 74.23 110.738 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.907 ' ND1' HD12 ' B' ' 29' ' ' ILE . 70.0 t60 -58.58 -27.62 64.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.421 -0.354 . . . . 72.33 110.827 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.63 -40.58 72.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.983 0.42 . . . . 71.35 110.719 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.886 ' O ' HG23 ' A' ' 18' ' ' VAL . 50.3 mt -63.59 -41.32 98.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.891 -0.595 . . . . 72.12 110.643 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 12' ' ' HIS . 3.7 mm? -61.6 -49.45 76.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.965 -0.561 . . . . 73.23 110.62 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 25.0 p -60.78 -40.96 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.794 -0.639 . . . . 64.41 110.532 179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -62.4 -41.64 98.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 74.11 110.667 179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.886 HG23 ' O ' ' A' ' 14' ' ' LEU . 32.6 t -67.84 -37.13 77.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.055 -0.52 . . . . 63.45 110.853 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -67.21 -38.5 85.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.942 -0.572 . . . . 72.25 110.546 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -61.53 -39.22 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.001 -0.545 . . . . 73.3 110.719 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.1 -37.82 84.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.97 -0.559 . . . . 74.43 110.913 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.853 HD23 HD11 ' A' ' 59' ' ' LEU . 65.3 mt -65.82 -54.69 23.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.985 -0.552 . . . . 75.54 110.844 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.82 -32.23 73.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 73.12 111.023 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.51 -30.72 69.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 72.31 110.867 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -104.03 22.56 14.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 72.53 111.15 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt 59.81 45.29 12.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.86 0.362 . . . . 53.02 110.996 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.431 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.6 t -104.05 85.39 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 63.02 111.069 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 30.0 m-20 -64.18 120.6 12.42 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.893 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mt -96.35 128.05 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.061 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 85.5 mt -75.04 -31.01 61.21 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.956 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.32 168.07 4.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 72.51 110.789 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.01 151.51 5.97 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.307 -0.406 . . . . 42.04 111.32 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.423 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 10.9 t -163.65 132.04 3.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 71.53 110.91 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.522 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.0 p -123.34 141.62 42.99 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.281 -0.418 . . . . 74.4 111.556 -179.882 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.8 t -136.52 154.06 50.84 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.032 -0.531 . . . . 73.22 110.889 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -63.51 113.3 3.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.24 111.045 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.587 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.2 t -66.93 -38.52 86.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.156 -0.475 . . . . 63.51 111.045 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.566 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 173.93 -104.52 0.2 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.68 -0.771 . . . . 40.34 112.647 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.48 ' O ' HG22 ' A' ' 41' ' ' VAL . 10.2 p-10 -98.69 110.07 22.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 74.35 111.099 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 18.1 mtm180 53.5 36.1 22.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 74.31 111.05 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.566 HG23 ' N ' ' A' ' 38' ' ' GLY . 0.1 OUTLIER -137.47 142.15 37.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.854 -0.612 . . . . 74.23 110.972 179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -135.07 121.78 20.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 74.01 111.315 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.587 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.9 mt -89.82 107.83 18.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 70.43 110.808 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 133.49 42.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.414 . . . . 73.14 111.22 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 47.1 mtp180 -112.24 133.31 54.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.071 -0.513 . . . . 43.44 110.592 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 31.2 m-85 -123.64 125.58 45.06 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.332 -0.395 . . . . 64.33 111.247 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.7 m -114.42 120.45 40.36 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.958 -0.565 . . . . 74.21 110.511 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.626 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.4 p90 -150.7 171.14 17.63 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.098 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.4 tt0 -88.53 165.78 14.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 64.54 110.869 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.4 ' CE ' ' CD2' ' A' ' 56' ' ' LEU . 2.0 mtp -109.07 162.32 14.35 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.211 -0.449 . . . . 73.44 111.097 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.37 -63.51 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.844 -0.693 . . . . 74.22 112.414 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -106.32 101.05 32.94 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 120.605 0.241 . . . . 72.15 110.98 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.418 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 59.7 Cg_exo -51.63 -33.83 50.5 Favored 'Trans proline' 0 C--N 1.346 0.409 0 C-N-CA 122.445 2.096 . . . . 73.44 112.364 -179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.8 mmtm -67.68 -30.34 69.84 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 72.32 111.05 -179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 3.4 m80 -77.24 -44.32 30.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 71.35 110.624 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.591 HD12 ' N ' ' A' ' 57' ' ' GLY . 4.6 pp -72.32 -29.26 63.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.956 0.408 . . . . 75.0 110.044 179.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.591 ' N ' HD12 ' A' ' 56' ' ' LEU . . . -73.63 -46.6 24.08 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.832 -0.699 . . . . 74.1 111.835 179.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -71.93 -32.78 67.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.815 0.341 . . . . 71.33 110.634 179.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 63' ' ' VAL . 29.5 tp -60.11 -42.39 94.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 71.53 110.755 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.5 mt -60.01 -48.28 82.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.009 -0.541 . . . . 71.12 110.795 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -60.95 -40.96 95.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.44 110.632 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.76 -41.25 99.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.089 -0.505 . . . . 71.12 110.892 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 59' ' ' LEU . 37.5 t -58.23 -29.46 37.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.041 -0.527 . . . . 74.43 110.904 179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -27.87 69.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.273 -0.421 . . . . 71.05 110.73 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -80.39 -1.51 41.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.528 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.626 HG23 ' O ' ' A' ' 63' ' ' VAL . 27.6 t -73.97 104.17 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-O 120.914 0.387 . . . . 74.54 110.636 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.86 119.93 4.35 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.087 -0.506 . . . . 74.1 110.735 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -22.65 22.47 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.24 112.559 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.6 t -87.18 126.88 40.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.825 0.345 . . . . 72.24 111.143 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -73.7 -54.2 8.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 63.24 111.246 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -166.75 168.97 13.82 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.014 -0.539 . . . . 73.2 111.097 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.615 HG21 ' CG1' ' A' ' 63' ' ' VAL . 35.7 t -131.19 129.23 62.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.121 -0.49 . . . . 73.25 111.245 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 62.4 m-85 -135.55 131.0 35.43 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.417 -0.356 . . . . 63.23 111.334 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 60.0 mtp180 -62.95 126.16 26.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.374 -0.375 . . . . 75.24 110.729 179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.616 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 27.7 t -85.83 131.34 34.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.328 -0.396 . . . . 75.21 111.205 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 75' ' ' VAL . 2.2 p -163.13 -178.04 5.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.1 -0.5 . . . . 75.33 110.832 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -143.0 28.69 1.53 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.988 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 56.87 75.65 0.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.224 -0.444 . . . . 51.12 111.221 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.027 0 CA-C-O 118.224 -0.894 . . . . 63.12 111.124 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.445 HD21 ' CG2' ' B' ' 47' ' ' THR . 2.9 tt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.777 0.322 . . . . 74.32 111.207 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -128.02 139.68 51.23 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.191 -0.459 . . . . 71.32 111.286 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.717 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -104.15 153.95 20.32 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.126 -0.488 . . . . 72.13 111.106 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.736 HD11 ' CD2' ' B' ' 56' ' ' LEU . 48.7 mt -139.69 133.41 37.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.162 -0.472 . . . . 75.25 111.007 -179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.45 ' HB2' HG23 ' B' ' 75' ' ' VAL . 2.8 mt-30 -107.87 127.46 53.75 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.156 -0.475 . . . . 65.12 110.9 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -111.55 112.9 42.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.214 -0.448 . . . . 54.42 111.249 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -95.62 139.91 31.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.179 -0.464 . . . . 75.13 110.866 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.526 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.45 160.62 34.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.314 -0.403 . . . . 75.53 111.235 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 4.3 pp -60.1 153.76 21.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 73.32 110.871 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -62.47 113.98 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 73.03 111.072 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.658 ' HB2' HD12 ' B' ' 14' ' ' LEU . 0.0 OUTLIER -150.32 176.82 10.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.204 -0.453 . . . . 62.53 110.942 179.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -111.16 -32.73 6.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.264 -0.426 . . . . 73.15 110.948 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.85 -27.16 22.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 73.14 111.028 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.658 HD12 ' HB2' ' B' ' 11' ' ' ARG . 20.5 mt -54.01 -39.08 65.79 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.88 0.371 . . . . 70.11 111.027 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 9.7 mp -58.5 -53.68 55.61 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.179 -0.464 . . . . 73.21 110.337 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.32 -34.42 72.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.841 -0.618 . . . . 63.11 110.259 179.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -62.55 -45.06 94.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.933 -0.576 . . . . 73.14 110.488 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.586 HG23 ' O ' ' B' ' 14' ' ' LEU . 38.7 t -65.65 -42.5 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.988 -0.551 . . . . 75.1 110.596 179.503 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.666 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -65.0 -38.21 90.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.799 -0.637 . . . . 41.42 110.393 179.489 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -66.7 -42.83 85.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.924 -0.58 . . . . 75.32 110.78 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.41 -47.25 79.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.053 -0.521 . . . . 70.35 110.836 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.565 HD13 HD11 ' B' ' 29' ' ' ILE . 6.6 mt -72.97 -30.79 64.1 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.715 -0.675 . . . . 75.11 110.538 179.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.46 -25.92 62.5 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.985 -0.552 . . . . 75.2 111.184 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.24 -33.98 55.23 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.342 -0.39 . . . . 74.53 110.826 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -110.48 18.47 19.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.062 -0.517 . . . . 73.12 110.992 179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 49.91 28.62 2.92 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.412 -0.358 . . . . 75.5 111.17 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -57.13 93.18 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.273 -0.421 . . . . 53.34 110.591 179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -63.81 100.31 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 74.34 110.682 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.907 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.1 mt -84.48 130.78 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 115.745 -0.661 . . . . 75.34 110.426 179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' B' ' 47' ' ' THR . 16.8 mt -74.53 -30.47 61.78 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.858 0.361 . . . . 74.53 110.27 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 4.4 m -134.4 131.36 38.11 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.028 -0.533 . . . . 64.02 110.919 179.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -134.76 121.47 20.78 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.005 -0.543 . . . . 74.31 110.31 179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.436 ' O ' ' N ' ' B' ' 45' ' ' ARG . 37.0 p -158.66 130.17 6.49 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 120.767 -0.373 . . . . 63.14 111.706 -179.576 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.559 ' O ' HG13 ' B' ' 34' ' ' VAL . 7.7 p -131.08 108.52 15.16 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.141 -0.481 . . . . 72.43 111.143 179.483 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 5.8 t -112.96 154.13 26.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.082 -0.508 . . . . 74.23 110.92 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -92.33 124.5 36.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.233 -0.44 . . . . 73.42 110.883 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.444 ' OG ' HG13 ' B' ' 41' ' ' VAL . 4.0 p -102.04 167.79 9.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.838 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 46.08 -95.14 0.01 OUTLIER Glycine 0 C--N 1.331 0.259 0 C-N-CA 120.943 -0.646 . . . . 71.54 112.747 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -153.98 -67.23 0.14 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.808 0.337 . . . . 74.2 110.897 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.4 mtt-85 -98.45 35.98 1.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.283 -0.417 . . . . 65.54 110.833 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.444 HG13 ' OG ' ' B' ' 37' ' ' SER . 12.6 p -137.34 136.79 46.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.015 -0.538 . . . . 72.23 111.304 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.442 ' O ' HD13 ' B' ' 43' ' ' ILE . . . -115.57 149.62 37.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 44.34 111.026 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.442 HD13 ' O ' ' B' ' 42' ' ' ALA . 19.0 mm -130.12 123.32 55.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.253 -0.431 . . . . 62.24 111.491 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.07 147.61 29.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.004 -0.544 . . . . 61.43 110.456 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.436 ' N ' ' O ' ' B' ' 33' ' ' SER . 10.6 ttm-85 -134.97 117.26 15.6 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.344 -0.389 . . . . 75.41 110.355 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.428 ' CD1' HD13 ' B' ' 29' ' ' ILE . 78.6 m-85 -126.11 125.22 42.19 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-O 121.079 0.466 . . . . 74.55 111.434 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.493 ' O ' ' N ' ' B' ' 30' ' ' LEU . 25.5 m -113.28 119.38 37.52 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.754 -0.657 . . . . 74.41 109.752 179.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.681 ' CZ ' HD12 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -137.78 146.84 44.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.009 0.433 . . . . 75.24 111.504 -179.325 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.423 ' HB2' HD11 ' B' ' 30' ' ' LEU . 2.3 tt0 -88.78 114.52 25.48 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.95 -0.568 . . . . 73.22 110.843 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 92.3 mtp -149.85 159.64 44.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.348 -0.387 . . . . 70.1 111.029 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -128.01 -44.7 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.758 -0.734 . . . . 74.52 112.449 179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -59.88 109.44 1.99 Allowed Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.612 0.244 . . . . 63.05 110.872 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.53 -17.39 48.14 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.526 2.15 . . . . 52.15 112.578 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 4.7 mtpt -65.83 -43.9 87.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.87 0.367 . . . . 73.14 111.178 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -77.49 -44.39 28.98 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.129 -0.487 . . . . 74.11 110.742 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.736 ' CD2' HD11 ' B' ' 4' ' ' ILE . 0.4 OUTLIER -69.25 -32.8 72.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.975 0.416 . . . . 53.33 110.085 179.31 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.43 -41.78 29.36 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.711 -0.757 . . . . 72.44 111.8 179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -71.94 -29.68 64.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.736 0.303 . . . . 73.3 110.817 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.866 ' O ' HG23 ' B' ' 63' ' ' VAL . 12.8 tp -61.66 -44.91 96.07 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.962 0.411 . . . . 60.14 110.928 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.517 HD12 ' O ' ' B' ' 56' ' ' LEU . 0.4 OUTLIER -59.82 -51.63 68.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.863 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -61.0 -35.12 76.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.194 -0.457 . . . . 52.41 110.704 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.48 -42.21 92.45 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.674 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.866 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.9 t -56.5 -33.3 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.951 -0.568 . . . . 53.41 111.132 179.817 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt-85 -60.41 -29.17 68.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 74.12 110.764 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 14.9 m-20 -74.88 -12.18 60.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.415 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.42 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 21.0 t -74.28 104.05 2.72 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.902 0.382 . . . . 74.32 110.764 179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 7.2 mp0 -50.42 120.48 4.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.961 -0.563 . . . . 70.54 110.895 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.13 19.4 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.715 -0.755 . . . . 74.01 112.703 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.709 HG11 HG12 ' B' ' 63' ' ' VAL . 58.7 t -75.51 117.96 20.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 120.859 0.361 . . . . 75.03 110.825 179.732 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -70.0 -54.2 14.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 75.41 111.022 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -166.83 169.04 13.61 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 71.54 111.132 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.48 HG21 ' HB ' ' B' ' 63' ' ' VAL . 22.0 t -128.06 138.94 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 116.135 -0.484 . . . . 72.14 111.006 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -135.42 132.59 37.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.86 0.362 . . . . 71.41 111.298 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 30.8 mtm-85 -70.32 109.23 4.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.495 . . . . 73.22 110.718 179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.717 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 86.9 t -90.74 159.27 2.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 CA-C-N 116.261 -0.427 . . . . 70.32 111.22 -179.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.495 ' N ' HG12 ' B' ' 75' ' ' VAL . 27.1 m 64.61 147.5 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.084 -0.507 . . . . 70.41 111.034 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 37.4 t -146.89 -48.32 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 64.34 110.897 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.8 75.34 1.02 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 72.03 111.084 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.241 -0.885 . . . . 72.31 111.123 179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.8 mp . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.815 0.34 . . . . 75.31 111.111 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.35 149.12 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 CA-C-N 116.206 -0.452 . . . . 64.2 111.141 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.679 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -108.21 164.35 12.38 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.092 -0.504 . . . . 74.21 110.787 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.679 HD13 ' O ' ' A' ' 3' ' ' ALA . 20.8 mm -139.99 131.79 32.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 CA-C-O 120.993 0.425 . . . . 71.33 111.56 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -105.07 114.3 28.42 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.86 -0.609 . . . . 71.15 110.046 179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 13.4 t -113.53 112.64 41.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-O 120.846 0.355 . . . . 64.13 111.703 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.59 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.1 mt-10 -89.27 130.47 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 72.24 110.432 179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.65 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.41 168.75 25.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.351 . . . . 73.52 111.501 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt -52.31 145.57 10.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.033 -0.53 . . . . 53.54 111.066 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -67.5 80.61 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.076 -0.511 . . . . 71.14 111.253 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.463 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -153.43 141.42 20.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.256 -0.429 . . . . 74.23 110.719 179.815 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.857 ' ND1' HD12 ' B' ' 29' ' ' ILE . 55.2 t60 -68.31 -26.02 65.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.463 -0.335 . . . . 72.33 110.898 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.6 ptp85 -55.72 -34.3 65.0 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 71.35 110.769 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.842 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.5 mm? -64.83 -47.19 78.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.087 -0.506 . . . . 72.12 110.629 179.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.602 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 4.0 mm? -59.34 -50.71 72.92 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.889 -0.596 . . . . 73.23 110.673 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 10.5 p -60.71 -37.45 81.74 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.851 -0.613 . . . . 64.41 110.572 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -66.79 -43.89 82.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.081 -0.508 . . . . 74.11 110.698 179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.4 t -68.42 -37.18 77.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.941 -0.572 . . . . 63.45 110.709 179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.551 HG21 HD22 ' B' ' 15' ' ' LEU . 16.7 m -68.8 -36.62 78.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.986 -0.552 . . . . 72.25 110.415 179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.1 ttt180 -62.82 -37.56 87.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.012 -0.54 . . . . 73.3 110.636 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.32 -40.58 85.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 74.43 111.016 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.457 HD13 HG12 ' A' ' 29' ' ' ILE . 72.8 mt -65.15 -51.15 62.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.984 -0.553 . . . . 75.54 110.821 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.37 -33.76 76.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 73.12 110.961 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -60.99 -30.67 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 72.31 110.871 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.14 18.43 18.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 72.53 111.178 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mttt 57.17 38.47 28.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.832 0.348 . . . . 53.02 111.113 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.3 t -91.18 128.65 42.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 63.02 111.016 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 m-20 -89.06 118.82 29.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 63.02 110.982 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.457 HG12 HD13 ' A' ' 22' ' ' LEU . 3.3 mt -96.31 137.2 24.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 73.12 111.103 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 30' ' ' LEU . 8.1 mt -89.74 -37.1 14.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.258 -0.428 . . . . 72.1 110.918 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.749 ' CB ' HG22 ' B' ' 35' ' ' THR . 4.4 m -163.91 163.55 23.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.43 . . . . 72.51 111.159 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -161.87 139.96 9.06 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.239 -0.437 . . . . 42.04 111.245 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.414 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 1.1 m -163.79 143.24 8.1 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.13 -0.486 . . . . 71.53 110.95 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG11 HD21 ' A' ' 15' ' ' LEU . 14.9 p -130.94 139.51 50.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.934 0.397 . . . . 74.4 111.344 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 39.3 p -136.69 154.04 50.72 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 115.965 -0.561 . . . . 73.22 110.857 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 56.3 p -59.83 121.42 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.896 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.4 t -77.68 -34.2 53.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 63.51 110.836 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.82 -85.11 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.914 -0.66 . . . . 40.34 112.255 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -125.29 -77.68 0.59 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.724 0.297 . . . . 74.35 110.547 179.681 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -97.56 33.4 2.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.1 0.476 . . . . 74.31 110.256 179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.0 m -137.46 147.25 26.66 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 115.607 -0.724 . . . . 74.23 111.328 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.9 124.61 23.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 74.01 111.053 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.483 ' O ' HG23 ' A' ' 43' ' ' ILE . 3.3 tt -91.16 123.41 43.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 116.284 -0.416 . . . . 70.43 111.074 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.577 ' OG ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.09 147.53 24.45 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.136 -0.484 . . . . 73.14 110.829 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 20.7 mtm180 -143.84 122.75 12.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.039 -0.528 . . . . 43.44 110.48 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.408 ' CD2' ' O ' ' A' ' 46' ' ' PHE . 14.4 p90 -141.77 140.16 32.99 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-O 121.082 0.467 . . . . 64.33 111.485 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.6 m -105.58 134.54 48.53 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 115.793 -0.64 . . . . 74.21 110.446 179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 129.92 12.54 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.329 -0.396 . . . . 74.22 111.13 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -88.79 132.7 34.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 64.54 110.951 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 5.9 mmt -149.91 165.17 33.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.251 -0.432 . . . . 73.44 110.99 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.56 -38.06 0.8 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.495 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.53 111.58 10.83 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 120.584 0.23 . . . . 72.15 110.842 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -68.19 -27.8 34.73 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.41 2.073 . . . . 73.44 112.366 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.59 -38.52 91.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 72.32 110.937 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.558 ' O ' HD12 ' A' ' 59' ' ' LEU . 0.1 OUTLIER -77.65 -39.21 45.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.072 -0.513 . . . . 71.35 110.697 -179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.45 -34.91 68.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.0 110.214 179.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.8 -38.79 30.47 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.662 -0.78 . . . . 74.1 111.848 179.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -77.18 -27.76 53.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.724 0.297 . . . . 71.33 110.882 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.888 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -59.83 -44.13 94.2 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 121.01 0.434 . . . . 71.53 110.879 179.886 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.408 HD11 ' HE ' ' A' ' 74' ' ' ARG . 44.1 mt -59.6 -50.98 71.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.934 -0.575 . . . . 71.12 110.84 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 56.4 m-20 -60.92 -35.63 77.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.314 -0.403 . . . . 75.44 110.698 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.42 -42.09 92.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.73 179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.888 HG23 ' O ' ' A' ' 59' ' ' LEU . 18.1 t -56.4 -32.36 35.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.91 -0.586 . . . . 74.43 111.114 179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -30.05 69.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.296 -0.411 . . . . 71.05 110.778 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -77.61 -5.49 50.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 74.2 111.225 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.9 t -73.98 104.06 2.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.881 0.372 . . . . 74.54 110.781 179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -50.43 120.3 4.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.805 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -22.07 23.54 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.707 -0.759 . . . . 72.24 112.473 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.65 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.4 t -87.81 129.97 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.91 0.386 . . . . 72.24 111.091 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -56.49 4.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 63.24 111.312 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -166.72 169.19 13.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.065 -0.516 . . . . 73.2 111.21 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.703 HG21 ' HB ' ' A' ' 63' ' ' VAL . 21.6 t -123.26 139.63 49.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.058 -0.519 . . . . 73.25 111.469 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -135.34 122.69 21.79 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 116.328 -0.396 . . . . 63.23 111.189 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.408 ' HE ' HD11 ' A' ' 60' ' ' LEU . 0.8 OUTLIER -64.62 110.45 2.35 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.339 -0.391 . . . . 75.24 111.035 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.54 HG12 ' H ' ' A' ' 76' ' ' THR . 1.7 t -92.76 169.79 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.21 110.968 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.54 ' H ' HG12 ' A' ' 75' ' ' VAL . 9.0 t -93.5 172.16 8.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.362 -0.381 . . . . 75.33 110.837 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.6 t -136.7 -66.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.3 -0.409 . . . . 74.21 110.958 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -69.05 145.31 53.61 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.043 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.184 -0.912 . . . . 63.12 111.112 -179.994 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.666 HD12 ' CG2' ' B' ' 47' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.811 0.338 . . . . 74.32 111.166 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.629 HG11 ' HD3' ' B' ' 74' ' ' ARG . 23.6 t -128.08 149.03 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.122 -0.49 . . . . 71.32 111.202 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.632 ' HB3' ' C ' ' B' ' 75' ' ' VAL . . . -106.43 156.22 18.76 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.173 -0.467 . . . . 72.13 111.069 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.776 HD11 ' CE2' ' B' ' 48' ' ' PHE . 3.1 mp -140.93 131.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.306 -0.407 . . . . 75.25 111.46 -179.63 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HG3' HG21 ' B' ' 75' ' ' VAL . 0.8 OUTLIER -105.06 114.86 29.31 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 116.2 -0.454 . . . . 65.12 110.708 179.77 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 28.2 t -102.78 112.91 37.87 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.427 0 CA-C-N 116.366 -0.379 . . . . 54.42 111.346 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.595 ' O ' HG13 ' B' ' 69' ' ' VAL . 0.0 OUTLIER -96.5 130.41 43.67 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.133 -0.485 . . . . 75.13 110.781 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.806 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -156.71 151.73 26.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.948 0.404 . . . . 75.53 111.182 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.619 ' O ' HD12 ' B' ' 14' ' ' LEU . 47.4 mt -57.13 143.4 38.96 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 73.32 110.988 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -60.51 93.27 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.167 -0.47 . . . . 73.03 110.918 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -127.33 179.31 5.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 62.53 110.858 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 39.1 m-70 -101.01 -30.07 11.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.15 110.91 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -91.06 -27.41 18.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.14 111.07 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.806 HD13 ' HB1' ' B' ' 8' ' ' ALA . 9.8 mt -57.12 -43.81 82.71 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.35 -0.386 . . . . 70.11 110.965 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.577 ' CG ' HG11 ' B' ' 34' ' ' VAL . 1.1 tt -60.75 -54.13 48.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.029 -0.532 . . . . 73.21 110.666 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -60.06 -32.02 70.54 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.887 -0.597 . . . . 63.11 110.637 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -67.3 -43.78 80.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.995 -0.548 . . . . 73.14 110.682 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.763 HG23 ' O ' ' B' ' 14' ' ' LEU . 33.6 t -65.38 -45.1 94.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.74 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.428 ' CG2' ' CE1' ' A' ' 12' ' ' HIS . 0.3 OUTLIER -69.67 -39.17 77.16 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.801 -0.636 . . . . 41.42 110.099 179.412 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -71.1 -36.47 72.2 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.703 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.24 -49.45 77.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.065 -0.516 . . . . 70.35 110.653 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 7.5 mt -72.33 -33.33 67.25 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.751 -0.658 . . . . 75.11 110.596 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.15 -26.4 60.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.069 -0.514 . . . . 75.2 111.125 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -55.03 -38.6 68.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.308 -0.406 . . . . 74.53 110.871 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -98.62 18.73 16.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 73.12 110.95 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.9 mmtt 54.33 24.65 5.26 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.331 -0.395 . . . . 75.5 111.229 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.91 91.64 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.395 -0.366 . . . . 53.34 110.586 179.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 27.8 t30 -63.96 100.47 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.504 . . . . 74.34 111.06 -179.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.857 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -89.46 131.15 37.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.726 -0.67 . . . . 75.34 110.172 179.419 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.6 mt -74.39 -25.02 59.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.858 0.361 . . . . 74.53 110.699 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.453 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.1 t -137.79 136.09 36.9 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.103 -0.499 . . . . 64.02 110.616 179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.602 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -141.51 121.5 13.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 74.31 110.285 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.414 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 86.6 p -160.13 129.8 5.23 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-O 121.039 0.447 . . . . 63.14 111.794 -179.566 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.577 HG11 ' CG ' ' B' ' 15' ' ' LEU . 9.3 p -131.19 119.8 45.0 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 115.941 -0.572 . . . . 72.43 111.065 179.361 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.749 HG22 ' CB ' ' A' ' 31' ' ' SER . 16.4 p -136.5 153.99 50.86 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.184 -0.462 . . . . 74.23 111.033 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 19.1 p -77.62 140.77 39.68 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.192 -0.458 . . . . 73.42 110.931 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 29.9 t -132.57 97.53 4.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 74.14 110.905 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 105.07 -116.23 5.2 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.773 -0.727 . . . . 71.54 112.523 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -137.77 113.15 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.803 0.335 . . . . 74.2 110.927 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 63.04 40.96 8.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 65.54 110.91 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 25.3 t -137.19 112.71 11.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.23 111.094 179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -97.21 115.8 28.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 44.34 111.143 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.512 HD13 ' HG3' ' B' ' 7' ' ' GLU . 20.7 mm -99.38 113.16 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.116 -0.493 . . . . 62.24 111.241 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.41 150.08 22.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 61.43 110.778 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 12.3 mmm-85 -137.62 129.49 28.73 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.244 -0.435 . . . . 75.41 110.302 179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.57 ' HB3' HG21 ' B' ' 29' ' ' ILE . 88.6 m-85 -139.77 125.45 19.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.002 0.43 . . . . 74.55 111.588 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.666 ' CG2' HD12 ' B' ' 1' ' ' LEU . 92.8 m -117.59 115.09 24.42 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.893 -0.594 . . . . 74.41 110.013 179.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.776 ' CE2' HD11 ' B' ' 4' ' ' ILE . 2.7 p90 -130.97 168.42 17.38 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 120.959 0.409 . . . . 75.24 111.754 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -122.4 112.04 17.6 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 115.825 -0.625 . . . . 73.22 110.958 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 10.4 ttp -149.93 149.04 29.83 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.343 -0.389 . . . . 70.1 110.871 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -98.48 -39.06 3.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.725 -0.75 . . . . 74.52 112.483 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.427 ' HB3' ' CD2' ' B' ' 55' ' ' HIS . 0.5 OUTLIER -60.43 110.4 2.86 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.565 0.222 . . . . 63.05 110.836 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . 0.419 ' HA ' ' HG ' ' B' ' 56' ' ' LEU . 67.6 Cg_endo -73.82 -28.67 11.21 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.502 2.135 . . . . 52.15 112.472 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -31.36 71.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 73.14 111.19 -179.782 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.427 ' CD2' ' HB3' ' B' ' 52' ' ' ASP . 15.0 m-70 -77.15 -44.38 30.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.525 -179.719 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.462 HD12 ' N ' ' B' ' 57' ' ' GLY . 4.2 pp -74.7 -33.39 62.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.057 0.456 . . . . 53.33 109.884 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . 0.462 ' N ' HD12 ' B' ' 56' ' ' LEU . . . -74.3 -34.39 54.85 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.623 -0.799 . . . . 72.44 111.474 178.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -74.11 -44.51 53.61 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.838 0.351 . . . . 73.3 110.963 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.893 ' O ' HG23 ' B' ' 63' ' ' VAL . 3.8 pp -66.48 -38.97 88.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.869 0.366 . . . . 60.14 110.601 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.767 ' N ' HD12 ' B' ' 59' ' ' LEU . 2.4 mt -59.53 -52.08 67.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.068 -0.514 . . . . 72.13 110.407 179.355 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 10.4 m-80 -62.39 -37.4 85.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 52.41 110.242 179.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.02 -37.7 85.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.003 -0.544 . . . . 62.43 110.659 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.893 HG23 ' O ' ' B' ' 59' ' ' LEU . 38.4 t -55.91 -35.2 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.045 -0.525 . . . . 53.41 111.15 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 29.2 mtt-85 -58.84 -28.61 66.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 74.12 110.871 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -77.92 -5.03 49.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.222 -0.444 . . . . 73.03 111.488 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.638 HG23 ' O ' ' B' ' 63' ' ' VAL . 30.2 t -72.94 104.16 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-O 120.857 0.361 . . . . 74.32 110.603 179.791 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.519 ' O ' HD21 ' B' ' 14' ' ' LEU . 7.1 pt-20 -49.78 120.11 4.03 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.064 -0.517 . . . . 70.54 110.867 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.416 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.2 -24.25 18.87 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.845 -0.693 . . . . 74.01 112.706 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.595 HG13 ' O ' ' B' ' 7' ' ' GLU . 55.4 t -80.61 122.67 36.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-O 120.851 0.358 . . . . 75.03 110.862 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.17 -60.63 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 75.41 110.907 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -166.79 169.13 13.61 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.833 -0.621 . . . . 71.54 110.972 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 18.4 t -126.59 140.77 47.92 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.151 -0.477 . . . . 72.14 111.193 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -135.27 126.74 28.65 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.252 -0.431 . . . . 71.41 111.171 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.629 ' HD3' HG11 ' B' ' 2' ' ' VAL . 2.1 mtt180 -69.81 109.24 4.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 73.22 110.894 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.632 ' C ' ' HB3' ' B' ' 3' ' ' ALA . 1.7 t -97.08 171.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 70.32 110.807 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.552 ' H ' HG12 ' B' ' 75' ' ' VAL . 37.5 p -116.02 157.81 24.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 70.41 110.927 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.4 m -57.89 176.59 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.496 . . . . 64.34 110.978 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.62 138.09 13.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.106 -0.497 . . . . 72.03 111.042 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.246 -0.883 . . . . 72.31 111.044 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.917 0.389 . . . . 75.31 111.125 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.568 HG11 ' HD2' ' A' ' 74' ' ' ARG . 21.8 t -82.25 149.16 4.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 64.2 111.174 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.461 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -110.69 165.35 11.9 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.17 -0.468 . . . . 74.21 110.968 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.565 HD11 ' CE2' ' A' ' 48' ' ' PHE . 29.0 mt -142.68 131.97 21.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-O 120.892 0.377 . . . . 71.33 111.391 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.679 ' HG3' HG21 ' A' ' 75' ' ' VAL . 2.3 mt-30 -105.38 106.38 16.84 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.149 -0.478 . . . . 71.15 110.621 179.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.497 HG13 HG22 ' A' ' 72' ' ' VAL . 24.7 t -102.62 112.72 37.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 116.355 -0.384 . . . . 64.13 111.391 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.529 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -88.59 125.2 34.69 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.087 -0.506 . . . . 72.24 110.449 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.858 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.4 159.56 33.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 73.52 111.316 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 14' ' ' LEU . 64.7 mt -50.34 146.45 5.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.09 -0.505 . . . . 53.54 110.968 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.698 ' OD2' HG22 ' A' ' 36' ' ' THR . 12.4 m-20 -66.24 76.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 71.14 111.162 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 mtt180 -142.23 122.44 13.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.727 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.817 ' ND1' HD12 ' B' ' 29' ' ' ILE . 29.1 t60 -58.55 -28.1 65.17 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.381 -0.372 . . . . 72.33 110.767 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.93 -36.29 67.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.884 0.373 . . . . 71.35 110.697 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.86 ' O ' HG23 ' A' ' 18' ' ' VAL . 90.4 mt -66.91 -45.65 77.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.965 -0.561 . . . . 72.12 110.685 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.7 mm? -61.68 -47.29 85.98 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.986 -0.552 . . . . 73.23 110.576 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 18.1 p -62.17 -40.24 95.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.866 -0.606 . . . . 64.41 110.503 179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -62.97 -41.7 99.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.051 -0.522 . . . . 74.11 110.557 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 14' ' ' LEU . 30.2 t -67.73 -37.27 78.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.995 -0.548 . . . . 63.45 110.816 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.438 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.8 m -67.05 -38.88 86.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.944 -0.571 . . . . 72.25 110.441 179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 57.5 ttt180 -61.32 -40.63 94.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.076 -0.511 . . . . 73.3 110.634 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.29 -37.38 85.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.992 -0.549 . . . . 74.43 110.944 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.69 HD13 HD11 ' A' ' 29' ' ' ILE . 50.8 mt -65.5 -51.84 57.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.832 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.2 -37.93 89.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 73.12 110.989 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -62.78 -30.55 71.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.043 -0.526 . . . . 72.31 110.807 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.43 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -98.79 15.29 25.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.183 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.1 ttmt 58.22 48.49 12.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 53.02 110.953 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.43 HG23 ' HB3' ' A' ' 25' ' ' GLU . 21.5 t -104.31 110.31 30.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 63.02 111.082 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -80.63 115.39 20.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 63.02 110.874 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.69 HD11 HD13 ' A' ' 22' ' ' LEU . 4.8 mt -96.16 129.85 45.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 73.12 111.064 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 83.6 mt -75.15 -33.39 61.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 72.1 110.961 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.1 m -173.25 171.55 4.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 72.51 110.939 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -161.77 147.98 13.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.268 -0.424 . . . . 42.04 111.184 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -163.65 131.46 3.55 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.961 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.529 HG23 ' C ' ' A' ' 43' ' ' ILE . 13.7 p -130.73 138.39 53.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.263 -0.426 . . . . 74.4 111.305 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.5 p -136.65 153.98 50.77 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.127 -0.488 . . . . 73.22 110.916 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.698 HG22 ' OD2' ' A' ' 10' ' ' ASP . 40.3 p -78.6 113.52 16.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 71.24 110.961 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.9 t -81.14 -28.94 34.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.973 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.604 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -162.61 -134.57 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.664 -0.779 . . . . 40.34 112.66 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -90.19 117.36 28.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.845 0.355 . . . . 74.35 110.972 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 54.3 34.88 21.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.31 111.002 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.604 HG23 ' H ' ' A' ' 38' ' ' GLY . 16.1 m -137.43 107.64 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.806 -0.634 . . . . 74.23 110.993 179.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.613 ' HB2' ' OD2' ' A' ' 10' ' ' ASP . . . -110.92 121.46 45.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 74.01 111.346 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.529 ' C ' HG23 ' A' ' 34' ' ' VAL . 16.6 mm -89.83 110.9 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 116.05 -0.523 . . . . 70.43 110.902 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.406 ' N ' HG23 ' A' ' 34' ' ' VAL . 0.9 OUTLIER -98.04 138.43 35.37 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.267 -0.424 . . . . 73.14 111.125 -179.599 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.72 117.19 26.02 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 115.972 -0.558 . . . . 43.44 110.49 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -109.18 125.47 52.25 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.206 -0.452 . . . . 64.33 111.367 -179.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 91.3 m -110.79 118.07 35.15 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.976 -0.556 . . . . 74.21 110.589 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.565 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.9 OUTLIER -150.74 169.42 21.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.392 . . . . 74.22 111.118 -179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -88.71 160.36 17.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 64.54 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.13 160.64 15.91 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.231 -0.441 . . . . 73.44 110.969 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.92 -54.13 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.656 -0.783 . . . . 74.22 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -106.42 100.34 29.35 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.572 0.225 . . . . 72.15 110.983 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -52.78 -32.28 55.19 Favored 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.43 2.086 . . . . 73.44 112.369 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -64.49 -34.66 78.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.115 -0.493 . . . . 72.32 110.969 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.464 ' O ' HD12 ' A' ' 59' ' ' LEU . 31.0 m80 -77.51 -42.83 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 71.35 110.668 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.767 ' O ' HD23 ' A' ' 60' ' ' LEU . 8.7 tt -72.62 -32.7 66.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 75.0 110.165 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.08 -43.7 32.28 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.709 -0.758 . . . . 74.1 111.876 179.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.6 m170 -74.03 -31.01 62.72 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.339 . . . . 71.33 110.7 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.868 ' O ' HG23 ' A' ' 63' ' ' VAL . 7.5 mt -63.52 -46.95 83.69 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.273 -0.421 . . . . 71.53 110.828 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.767 HD23 ' O ' ' A' ' 56' ' ' LEU . 3.6 mm? -58.03 -49.87 75.37 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.973 -0.558 . . . . 71.12 110.795 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -61.4 -39.11 89.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.157 -0.474 . . . . 75.44 110.638 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.81 -39.71 95.13 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 71.12 110.708 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.868 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.7 t -57.35 -30.57 35.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 74.43 110.986 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 6.0 mtt180 -60.84 -28.76 69.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 71.05 110.839 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -83.18 2.8 33.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.307 -0.406 . . . . 74.2 111.517 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -80.97 104.2 9.13 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 CA-C-O 120.875 0.369 . . . . 74.54 110.793 179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -53.93 120.46 6.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.101 -0.499 . . . . 74.1 110.631 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.31 -21.93 23.45 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 72.24 112.655 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.5 t -86.59 123.1 39.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 CA-C-O 120.76 0.314 . . . . 72.24 111.168 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -72.55 -56.04 5.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.24 111.286 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -165.93 169.17 15.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.989 -0.551 . . . . 73.2 111.092 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.618 HG21 HG11 ' A' ' 63' ' ' VAL . 22.8 t -129.72 138.43 54.19 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.139 -0.482 . . . . 73.25 111.302 -179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 92.4 m-85 -135.53 126.54 27.8 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 116.26 -0.427 . . . . 63.23 111.142 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.568 ' HD2' HG11 ' A' ' 2' ' ' VAL . 22.3 ttp180 -64.33 110.56 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 75.24 110.785 179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.679 HG21 ' HG3' ' A' ' 5' ' ' GLN . 34.7 t -85.97 158.49 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 75.21 111.239 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.492 ' N ' HG12 ' A' ' 75' ' ' VAL . 1.1 p -151.28 115.04 4.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.494 . . . . 75.33 110.801 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.0 p -97.23 168.19 10.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 74.21 110.978 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.51 115.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 51.12 111.143 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.213 -0.899 . . . . 63.12 111.108 179.94 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.793 0.33 . . . . 74.32 111.243 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.647 HG11 ' HD2' ' B' ' 74' ' ' ARG . 29.1 t -82.15 138.28 19.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 71.32 111.169 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.768 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -100.73 153.01 19.8 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 116.08 -0.509 . . . . 72.13 110.95 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.768 HD13 ' O ' ' B' ' 3' ' ' ALA . 16.3 mm -133.31 131.93 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.457 0 CA-C-N 116.296 -0.411 . . . . 75.25 111.411 -179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -106.06 104.88 14.69 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.61 179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.2 t -102.55 113.05 38.02 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.29 -0.413 . . . . 54.42 111.552 -179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.613 ' O ' HG13 ' B' ' 69' ' ' VAL . 18.4 tt0 -95.52 139.23 32.09 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.093 -0.503 . . . . 75.13 110.8 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.415 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -159.32 163.1 35.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.402 -0.363 . . . . 75.53 111.305 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.704 ' O ' HD12 ' B' ' 14' ' ' LEU . 3.1 mt -59.4 144.27 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 73.32 110.909 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -63.7 88.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.03 110.935 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -138.78 143.3 38.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.309 -0.405 . . . . 62.53 110.963 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.59 ' HA ' HD12 ' B' ' 15' ' ' LEU . 20.3 p-80 -68.21 -29.89 68.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 73.15 111.014 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.4 ' HG2' ' CD2' ' B' ' 12' ' ' HIS . 3.0 mmt180 -80.16 -37.65 32.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.23 -0.441 . . . . 73.14 111.003 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.704 HD12 ' O ' ' B' ' 9' ' ' LEU . 23.0 mt -57.3 -39.67 76.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 70.11 110.846 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.655 ' CD2' HG21 ' B' ' 34' ' ' VAL . 5.3 mt -59.89 -56.36 22.76 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.067 -0.515 . . . . 73.21 110.339 179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.56 -30.04 66.84 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.753 -0.658 . . . . 63.11 110.182 179.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -64.7 -48.08 76.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.394 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.542 HG23 ' O ' ' B' ' 14' ' ' LEU . 29.4 t -64.95 -41.35 91.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 115.981 -0.554 . . . . 75.1 110.569 179.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.646 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -69.33 -39.79 77.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.791 -0.64 . . . . 41.42 110.259 179.372 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.2 ttt85 -68.97 -37.88 79.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.804 -0.634 . . . . 75.32 110.738 179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.96 -37.81 77.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 70.35 110.716 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 57.3 mt -84.68 -30.13 25.08 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 75.11 110.834 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.43 -36.59 76.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 75.2 111.442 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -57.32 -25.16 58.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.073 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.82 9.85 38.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.4 . . . . 73.12 111.142 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mttt 55.14 23.73 5.59 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.768 0.318 . . . . 75.5 111.116 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 21.9 t -61.18 93.05 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.402 -0.363 . . . . 53.34 110.696 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -64.07 100.42 0.32 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 74.34 110.93 -179.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.817 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.9 mt -89.35 128.25 41.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.951 -0.568 . . . . 75.34 110.418 179.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' B' ' 49' ' ' GLU . 2.8 mt -74.46 -28.82 61.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.34 -0.391 . . . . 74.53 110.304 179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.412 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -132.98 131.4 40.72 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 116.026 -0.534 . . . . 64.02 110.729 179.365 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -137.41 121.56 17.96 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.305 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -159.46 133.71 7.64 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-O 120.974 0.416 . . . . 63.14 111.889 -179.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.655 HG21 ' CD2' ' B' ' 15' ' ' LEU . 9.2 p -131.21 123.44 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 CA-C-N 115.94 -0.573 . . . . 72.43 110.969 179.408 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 17.4 p -136.59 153.99 50.81 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.23 111.061 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 26.7 p -72.6 134.58 45.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 73.42 110.951 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.57 -47.18 9.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.112 -0.494 . . . . 74.14 110.942 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.745 ' H ' HG23 ' B' ' 41' ' ' VAL . . . -155.33 -103.21 0.21 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.7 -0.762 . . . . 71.54 112.672 -179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 33.8 m-20 -110.05 115.55 29.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.887 0.375 . . . . 74.2 111.108 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 53.87 36.7 24.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.079 -0.51 . . . . 65.54 111.205 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.745 HG23 ' H ' ' B' ' 38' ' ' GLY . 0.2 OUTLIER -137.4 107.57 5.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.999 -0.546 . . . . 72.23 111.091 179.688 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -101.11 127.25 47.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 44.34 111.192 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.408 HD13 ' HG3' ' B' ' 7' ' ' GLU . 20.8 mm -103.88 122.33 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.202 -0.454 . . . . 62.24 111.425 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -103.57 148.49 25.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.197 -0.456 . . . . 61.43 110.567 179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 51.5 ttp180 -134.95 121.75 20.93 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.431 -0.35 . . . . 75.41 110.604 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.62 ' CD2' HD13 ' B' ' 29' ' ' ILE . 74.1 m-85 -129.37 125.26 36.22 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.021 0.438 . . . . 74.55 111.344 -179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.472 ' O ' ' N ' ' B' ' 30' ' ' LEU . 68.4 m -115.23 119.83 37.67 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.855 -0.611 . . . . 74.41 110.047 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -136.11 151.34 49.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-O 120.88 0.372 . . . . 75.24 111.572 -179.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' B' ' 30' ' ' LEU . 1.7 tm-20 -102.64 111.96 24.5 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.907 -0.588 . . . . 73.22 110.871 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 20.8 mtt -149.91 165.85 31.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.924 0.393 . . . . 70.1 111.041 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.68 -42.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 74.52 112.505 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.571 ' O ' HD12 ' B' ' 56' ' ' LEU . 2.2 m-20 -55.81 107.22 0.82 Allowed Pre-proline 0 C--N 1.331 -0.234 0 CA-C-O 120.582 0.23 . . . . 63.05 111.029 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -62.98 -26.49 74.08 Favored 'Trans proline' 0 C--N 1.347 0.477 0 C-N-CA 122.584 2.19 . . . . 52.15 112.327 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -33.38 73.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 73.14 111.034 -179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.758 ' O ' HD13 ' B' ' 59' ' ' LEU . 1.1 m80 -77.45 -44.5 28.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 74.11 110.721 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.571 HD12 ' O ' ' B' ' 52' ' ' ASP . 5.2 mp -71.28 -32.82 69.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.939 0.4 . . . . 53.33 110.157 179.467 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.93 -40.05 31.58 Favored Glycine 0 N--CA 1.449 -0.497 0 C-N-CA 120.751 -0.737 . . . . 72.44 111.831 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -74.72 -30.31 61.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.774 0.321 . . . . 73.3 110.803 179.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.843 ' O ' HG23 ' B' ' 63' ' ' VAL . 3.9 mp -62.71 -47.23 84.51 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.331 -0.395 . . . . 60.14 110.894 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.07 -46.47 89.45 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.95 -0.568 . . . . 72.13 110.76 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -61.94 -39.02 90.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 52.41 110.718 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.87 -44.74 88.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.092 -0.504 . . . . 62.43 110.651 179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 59' ' ' LEU . 38.8 t -57.08 -32.01 38.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 115.92 -0.582 . . . . 53.41 110.965 179.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -61.73 -28.95 69.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 74.12 110.719 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -82.04 1.18 37.0 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 116.259 -0.428 . . . . 73.03 111.526 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.478 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.4 t -81.51 104.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.981 0.42 . . . . 74.32 110.73 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -53.5 120.69 6.44 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.979 -0.555 . . . . 70.54 110.809 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -24.16 19.1 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.804 -0.713 . . . . 74.01 112.777 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.613 HG13 ' O ' ' B' ' 7' ' ' GLU . 61.9 t -79.11 123.08 35.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-O 120.863 0.363 . . . . 75.03 110.764 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -67.66 -59.61 3.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.094 -0.503 . . . . 75.41 111.048 -179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -166.7 169.15 13.74 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.942 -0.572 . . . . 71.54 111.133 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . . . . . . . . . 25.2 t -124.94 135.07 65.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.956 -0.565 . . . . 72.14 111.13 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -135.3 125.34 25.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.303 -0.408 . . . . 71.41 111.355 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.647 ' HD2' HG11 ' B' ' 2' ' ' VAL . 8.0 ttp180 -65.77 117.29 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 73.22 110.514 179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.704 ' O ' HG23 ' B' ' 76' ' ' THR . 11.1 t -85.82 131.55 34.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.281 -0.418 . . . . 70.32 111.2 -179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.704 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.7 OUTLIER -170.27 108.56 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 70.41 110.909 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 24.8 t -108.56 120.36 42.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 64.34 110.858 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.51 109.14 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 72.03 111.022 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.283 -0.865 . . . . 72.31 111.152 179.981 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.682 ' O ' HD12 ' A' ' 1' ' ' LEU . 2.5 pp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.854 0.359 . . . . 75.31 111.232 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.22 146.71 6.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 64.2 111.238 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.43 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.61 163.44 13.46 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.088 -0.506 . . . . 74.21 110.999 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.591 HD11 ' CE2' ' A' ' 48' ' ' PHE . 23.9 mt -144.27 132.31 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-O 120.934 0.397 . . . . 71.33 111.552 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.549 ' HG3' HG21 ' A' ' 75' ' ' VAL . 1.8 mt-30 -107.15 105.68 15.79 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 116.048 -0.524 . . . . 71.15 110.536 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.531 HG13 HG22 ' A' ' 72' ' ' VAL . 21.8 t -102.61 112.65 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.258 -0.428 . . . . 64.13 111.291 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.588 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.7 tt0 -89.54 128.54 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 72.24 110.642 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.662 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.35 165.0 34.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.985 0.421 . . . . 73.52 111.443 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' O ' HD12 ' A' ' 14' ' ' LEU . 68.0 mt -51.94 144.32 11.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.975 -0.557 . . . . 53.54 111.053 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -63.94 83.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 71.14 111.098 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 78.5 mtm180 -153.51 127.56 9.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.23 110.852 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.878 ' ND1' HD12 ' B' ' 29' ' ' ILE . 60.9 t60 -60.11 -28.93 68.25 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 72.33 110.877 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.526 ' HG2' ' HB1' ' B' ' 23' ' ' ALA . 0.2 OUTLIER -56.2 -38.01 70.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.333 -0.394 . . . . 71.35 110.824 179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.878 ' O ' HG23 ' A' ' 18' ' ' VAL . 11.4 mt -62.39 -41.28 98.54 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 72.12 110.827 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.6 mm? -61.55 -47.78 84.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.052 -0.522 . . . . 73.23 110.586 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.46 ' HB2' HG22 ' B' ' 19' ' ' THR . 37.6 t -61.47 -41.04 96.63 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.867 -0.606 . . . . 64.41 110.546 179.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -62.76 -41.53 99.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 74.11 110.723 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.878 HG23 ' O ' ' A' ' 14' ' ' LEU . 28.5 t -66.74 -39.68 84.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.043 -0.526 . . . . 63.45 110.826 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.443 ' HA ' HD12 ' A' ' 22' ' ' LEU . 1.9 m -66.14 -38.62 88.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.001 -0.545 . . . . 72.25 110.506 179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 40.2 ttp180 -62.48 -42.04 99.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.043 -0.526 . . . . 73.3 110.647 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.47 -37.44 87.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.955 -0.566 . . . . 74.43 110.87 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.485 ' O ' HG23 ' A' ' 27' ' ' VAL . 31.8 mt -66.98 -49.81 64.24 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.809 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.98 -31.6 72.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 73.12 110.961 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -58.78 -30.47 67.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.448 . . . . 72.31 110.833 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -103.38 22.43 14.22 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.26 -0.427 . . . . 72.53 111.128 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? 58.78 41.56 21.44 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.894 0.378 . . . . 53.02 111.016 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 22' ' ' LEU . 27.5 t -94.02 128.48 45.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 63.02 111.136 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -102.21 112.45 25.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 63.02 110.846 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.7 mp -89.47 135.23 26.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.144 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 12.0 mt -85.51 -34.64 21.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.1 110.922 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.8 t -173.21 162.92 4.55 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.248 -0.433 . . . . 72.51 111.077 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.503 ' HB1' ' O ' ' A' ' 45' ' ' ARG . . . -168.13 154.71 7.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 42.04 111.01 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.2 t -163.61 130.63 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.274 -0.421 . . . . 71.53 110.91 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.639 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.6 p -112.88 136.99 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.259 -0.428 . . . . 74.4 111.455 -179.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.7 p -136.63 154.04 50.76 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 116.084 -0.507 . . . . 73.22 110.783 179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.1 p -58.23 121.75 11.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.31 -0.404 . . . . 71.24 110.985 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.486 ' HB3' HG13 ' A' ' 41' ' ' VAL . 0.1 OUTLIER -80.57 -36.94 32.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 63.51 110.807 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.93 -89.89 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.853 -0.689 . . . . 40.34 112.295 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -121.23 -78.42 0.6 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.83 0.347 . . . . 74.35 110.638 179.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.58 33.05 2.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.108 0.48 . . . . 74.31 110.172 179.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.486 HG13 ' HB3' ' A' ' 37' ' ' SER . 11.6 p -137.46 141.17 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 115.651 -0.704 . . . . 74.23 111.233 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.63 123.66 24.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.075 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.639 ' C ' HG23 ' A' ' 34' ' ' VAL . 6.5 tp -89.99 120.41 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 116.269 -0.423 . . . . 70.43 111.131 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 40.6 t -98.1 125.26 43.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.134 -0.484 . . . . 73.14 110.884 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.503 ' O ' ' HB1' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -97.14 148.29 23.21 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.155 -0.475 . . . . 43.44 110.595 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -145.32 149.69 35.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 120.996 0.427 . . . . 64.33 111.187 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.518 ' CG2' HD13 ' A' ' 1' ' ' LEU . 93.2 m -145.55 122.86 11.59 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.946 -0.57 . . . . 74.21 110.537 179.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.591 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.73 131.99 14.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.334 -0.394 . . . . 74.22 111.213 -179.84 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.9 115.84 26.74 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 116.118 -0.492 . . . . 64.54 110.836 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -149.99 165.78 31.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 73.44 110.923 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -114.76 -40.64 0.9 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 74.22 112.513 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.412 ' HB2' ' CD2' ' A' ' 55' ' ' HIS . 4.1 m-20 -58.04 109.84 2.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 120.529 0.205 . . . . 72.15 110.896 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -75.76 -15.96 18.84 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.437 2.091 . . . . 73.44 112.721 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.47 -43.81 97.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.897 0.379 . . . . 72.32 111.118 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.412 ' CD2' ' HB2' ' A' ' 52' ' ' ASP . 13.9 p80 -77.77 -34.12 52.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.136 -0.484 . . . . 71.35 110.732 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.536 HD13 ' HZ ' ' A' ' 48' ' ' PHE . 53.4 tp -73.51 -36.05 65.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.968 0.413 . . . . 75.0 110.144 179.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.62 -38.0 29.17 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.722 -0.752 . . . . 74.1 111.756 179.364 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -80.39 -24.3 39.81 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.721 0.296 . . . . 71.33 110.979 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.906 ' O ' HG23 ' A' ' 63' ' ' VAL . 4.0 mt -57.31 -44.87 84.52 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.86 0.362 . . . . 71.53 110.967 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 mp -58.96 -49.73 76.75 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.042 -0.527 . . . . 71.12 110.961 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 74.9 m-20 -60.44 -37.37 80.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.292 -0.413 . . . . 75.44 110.717 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.31 -46.28 74.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 71.12 110.754 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.906 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -58.05 -29.73 37.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.962 -0.563 . . . . 74.43 110.768 179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.08 -30.1 70.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 71.05 110.514 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 3.8 m-80 -78.37 -3.91 45.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.429 . . . . 74.2 111.321 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.517 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.5 t -76.96 104.13 4.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.513 0 CA-C-O 120.836 0.351 . . . . 74.54 110.827 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.36 121.23 5.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.088 -0.505 . . . . 74.1 110.644 179.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.2 -23.34 21.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.657 -0.782 . . . . 72.24 112.49 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.662 HG22 ' HB2' ' A' ' 8' ' ' ALA . 44.0 t -86.11 125.21 40.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.838 0.351 . . . . 72.24 111.05 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 68.3 m-85 -73.63 -54.72 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 63.24 111.28 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -166.71 169.21 13.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.066 -0.515 . . . . 73.2 111.065 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.531 HG22 HG13 ' A' ' 6' ' ' VAL . 21.9 t -131.19 137.93 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.13 -0.487 . . . . 73.25 111.315 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -135.46 124.26 23.94 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.229 -0.442 . . . . 63.23 110.984 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.71 110.28 2.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.699 179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.549 HG21 ' HG3' ' A' ' 5' ' ' GLN . 33.9 t -85.91 158.27 3.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 75.21 111.261 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.488 ' N ' HG12 ' A' ' 75' ' ' VAL . 1.6 p -137.11 -43.4 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.122 -0.49 . . . . 75.33 111.033 -179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.15 91.59 0.09 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.957 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.24 -167.53 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 51.12 111.085 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.255 -0.879 . . . . 63.12 111.155 179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.876 0.37 . . . . 74.32 111.23 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 48.6 t -82.26 130.43 35.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 CA-C-N 116.183 -0.462 . . . . 71.32 111.168 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.421 ' HB3' HG22 ' B' ' 76' ' ' THR . . . -95.78 152.31 18.59 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.012 -0.54 . . . . 72.13 111.172 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.4 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 25.1 mt -133.42 136.48 54.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.36 -0.382 . . . . 75.25 111.424 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.436 ' HB2' HG23 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -110.21 113.02 25.37 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.197 -0.456 . . . . 65.12 110.817 179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 20.2 t -102.63 112.8 37.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 CA-C-N 116.294 -0.412 . . . . 54.42 111.323 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.604 ' O ' HG13 ' B' ' 69' ' ' VAL . 1.9 mt-10 -91.86 137.42 32.38 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.204 -0.453 . . . . 75.13 110.824 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.467 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.45 145.32 16.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.282 -0.417 . . . . 75.53 111.161 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.494 HD11 HD11 ' B' ' 14' ' ' LEU . 3.4 pp -59.44 147.56 36.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.89 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -60.69 110.88 1.42 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.941 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.43 148.82 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 62.53 110.903 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 19.8 p80 -88.46 60.19 5.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.15 110.876 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.8 ttt-85 -177.79 -39.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.498 . . . . 73.14 110.897 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.75 ' O ' HG23 ' B' ' 18' ' ' VAL . 81.4 mt -56.76 -38.91 73.09 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.152 -0.477 . . . . 70.11 110.905 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.78 ' CD2' HG21 ' B' ' 34' ' ' VAL . 5.2 mt -60.54 -51.42 69.52 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.095 -0.502 . . . . 73.21 110.579 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.1 t -60.45 -35.94 77.04 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.768 -0.651 . . . . 63.11 110.405 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.33 -43.63 94.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.032 -0.531 . . . . 73.14 110.568 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.75 HG23 ' O ' ' B' ' 14' ' ' LEU . 38.7 t -64.03 -46.12 94.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 75.1 110.614 179.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.46 HG22 ' HB2' ' A' ' 16' ' ' SER . 0.2 OUTLIER -67.48 -41.38 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.747 -0.66 . . . . 41.42 110.247 179.482 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -36.04 74.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.879 -0.601 . . . . 75.32 110.727 179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.45 -49.04 79.14 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.114 -0.493 . . . . 70.35 110.704 179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -72.41 -34.3 67.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.804 -0.635 . . . . 75.11 110.561 179.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.526 ' HB1' ' HG2' ' A' ' 13' ' ' ARG . . . -74.16 -24.37 59.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.047 -0.524 . . . . 75.2 111.146 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -53.38 -37.71 62.67 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.923 0.392 . . . . 74.53 110.939 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -99.3 22.27 10.81 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 73.12 110.855 179.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.0 25.41 6.87 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.251 -0.431 . . . . 75.5 111.292 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.3 t -60.86 88.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.884 0.373 . . . . 53.34 110.428 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -63.88 100.45 0.3 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 74.34 111.131 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.878 HD12 ' ND1' ' A' ' 12' ' ' HIS . 7.5 mt -88.11 138.34 19.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.835 -0.62 . . . . 75.34 110.121 179.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' B' ' 47' ' ' THR . 5.6 mt -74.53 -23.18 58.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.73 0.3 . . . . 74.53 111.03 -179.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.48 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -150.22 137.86 19.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-O 120.88 0.371 . . . . 64.02 110.916 179.636 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.472 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -137.34 121.59 18.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.099 -0.5 . . . . 74.31 110.355 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 73.7 p -157.98 140.12 14.24 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.876 0.37 . . . . 63.14 111.766 -179.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.78 HG21 ' CD2' ' B' ' 15' ' ' LEU . 11.5 p -131.14 131.86 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 116.047 -0.524 . . . . 72.43 111.094 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 3.0 t -136.55 147.56 47.09 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 116.31 -0.404 . . . . 74.23 110.983 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 4.8 p -69.66 137.15 51.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.158 -0.473 . . . . 73.42 110.951 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.787 ' OG ' HD11 ' B' ' 43' ' ' ILE . 3.0 t -76.73 -63.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.925 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.6 -94.98 0.15 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.684 -0.769 . . . . 71.54 112.466 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.481 ' O ' HG23 ' B' ' 41' ' ' VAL . 5.3 t0 -111.18 110.96 21.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.809 0.337 . . . . 74.2 110.963 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 6.5 ttm180 60.17 40.94 17.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 65.54 110.949 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.481 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.7 t -137.21 139.16 44.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.155 -0.475 . . . . 72.23 111.205 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.467 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -122.3 143.86 49.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.266 -0.425 . . . . 44.34 111.125 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.787 HD11 ' OG ' ' B' ' 37' ' ' SER . 26.8 mt -130.2 117.06 38.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.177 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.2 OUTLIER -98.14 152.05 19.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 61.43 110.744 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.419 ' N ' ' O ' ' B' ' 33' ' ' SER . 12.7 mtm-85 -140.69 122.05 14.96 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 116.279 -0.419 . . . . 75.41 110.355 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.669 ' HB3' HG21 ' B' ' 29' ' ' ILE . 74.8 m-85 -127.7 125.32 39.82 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.964 0.411 . . . . 74.55 111.577 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.441 ' O ' ' N ' ' B' ' 30' ' ' LEU . 38.9 m -111.55 115.02 28.48 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.902 -0.59 . . . . 74.41 109.753 179.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.645 ' HB3' HG23 ' B' ' 29' ' ' ILE . 2.7 p90 -139.39 171.93 13.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.007 0.432 . . . . 75.24 111.472 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.89 165.88 14.95 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.871 -0.604 . . . . 73.22 110.616 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.401 ' CG ' ' CD1' ' B' ' 56' ' ' LEU . 3.0 ttp -108.8 161.06 15.47 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.007 0.432 . . . . 70.1 111.512 -179.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.31 -61.67 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 CA-C-N 115.8 -0.636 . . . . 74.52 112.111 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -106.49 103.06 44.45 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 120.482 0.182 . . . . 63.05 110.57 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_endo -61.57 -27.9 82.38 Favored 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.448 2.099 . . . . 52.15 112.463 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 67.3 mttt -63.24 -34.38 77.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 73.14 110.888 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.27 -44.38 29.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.097 -0.501 . . . . 74.11 110.624 -179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.401 ' CD1' ' CG ' ' B' ' 50' ' ' MET . 4.1 mt -70.06 -32.34 70.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.975 0.417 . . . . 53.33 110.059 179.253 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.43 -44.35 34.07 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.715 -0.755 . . . . 72.44 111.721 179.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.66 -31.36 59.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.794 0.331 . . . . 73.3 110.752 179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.867 ' O ' HG23 ' B' ' 63' ' ' VAL . 16.4 mt -64.3 -47.57 78.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.268 -0.423 . . . . 60.14 111.011 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.99 -49.21 77.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.021 -0.536 . . . . 72.13 110.791 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -61.98 -39.66 92.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 52.41 110.555 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.0 -39.18 91.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 62.43 110.701 179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.867 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.3 t -56.69 -31.87 36.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.937 -0.574 . . . . 53.41 111.055 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 21.5 mtt85 -60.36 -29.61 69.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.826 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -82.46 2.0 34.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 73.03 111.663 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.476 HG23 ' HA ' ' B' ' 63' ' ' VAL . 22.4 t -81.79 104.15 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 CA-C-O 120.849 0.357 . . . . 74.32 110.773 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 pm0 -54.07 119.63 5.33 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.037 -0.529 . . . . 70.54 110.989 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.11 -24.17 19.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 74.01 112.735 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.604 HG13 ' O ' ' B' ' 7' ' ' GLU . 45.3 t -81.02 124.3 38.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-O 120.773 0.321 . . . . 75.03 111.04 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.84 -62.33 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 75.41 110.911 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -166.77 169.07 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.032 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.426 ' CG2' HG11 ' B' ' 63' ' ' VAL . 21.7 t -120.95 128.69 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.984 -0.553 . . . . 72.14 111.085 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.3 130.18 34.68 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.346 -0.388 . . . . 71.41 111.156 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.06 123.76 19.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.315 -0.402 . . . . 73.22 110.85 179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.482 HG12 ' N ' ' B' ' 76' ' ' THR . 75.9 t -85.83 158.21 3.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 70.32 111.183 -179.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.482 ' N ' HG12 ' B' ' 75' ' ' VAL . 2.9 t 43.72 77.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.773 -0.648 . . . . 70.41 111.499 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 28.9 t -96.45 -30.79 13.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 64.34 110.892 179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -114.55 144.92 42.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 72.03 111.062 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.196 -0.907 . . . . 72.31 111.13 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.417 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.926 0.393 . . . . 75.31 111.215 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 t -82.29 141.87 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 64.2 111.194 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.499 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -98.21 152.43 19.39 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.157 -0.474 . . . . 74.21 111.088 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.668 HD11 ' CE2' ' A' ' 48' ' ' PHE . 23.5 mt -130.79 132.11 64.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.284 -0.416 . . . . 71.33 111.421 -179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.412 ' HG2' HG22 ' A' ' 43' ' ' ILE . 0.9 OUTLIER -109.37 104.75 13.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.125 -0.489 . . . . 71.15 110.571 179.797 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 HG13 ' A' ' 72' ' ' VAL . 25.3 t -104.83 112.82 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.469 0 CA-C-N 116.266 -0.424 . . . . 64.13 111.311 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.573 ' O ' HG13 ' A' ' 69' ' ' VAL . 1.1 mt-10 -89.98 130.58 36.16 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.108 -0.497 . . . . 72.24 110.663 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.67 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.42 165.24 33.59 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.339 -0.391 . . . . 73.52 111.17 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.429 HD23 ' O ' ' A' ' 40' ' ' ARG . 6.1 mt -52.84 145.08 13.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 53.54 111.117 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.4 p-10 -62.57 83.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 71.14 111.132 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 14.1 mtt-85 -153.5 125.82 8.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.787 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.858 ' ND1' HD12 ' B' ' 29' ' ' ILE . 59.7 t60 -60.66 -26.63 67.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.308 -0.406 . . . . 72.33 110.734 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -56.75 -40.7 76.26 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.369 -0.378 . . . . 71.35 110.74 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.884 ' O ' HG23 ' A' ' 18' ' ' VAL . 15.5 mt -65.79 -43.2 89.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.944 -0.571 . . . . 72.12 110.745 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.481 HD11 ' HB3' ' A' ' 44' ' ' SER . 3.6 mm? -61.13 -49.17 78.35 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.015 -0.538 . . . . 73.23 110.578 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -61.13 -41.24 96.36 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.955 -0.566 . . . . 64.41 110.487 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -61.64 -41.02 96.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.045 -0.525 . . . . 74.11 110.538 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.884 HG23 ' O ' ' A' ' 14' ' ' LEU . 32.7 t -68.12 -37.73 78.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.053 -0.521 . . . . 63.45 110.778 179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -66.19 -38.21 87.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.007 -0.542 . . . . 72.25 110.482 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -60.14 -40.32 89.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.545 . . . . 73.3 110.636 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.48 -38.86 92.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.987 -0.551 . . . . 74.43 110.83 179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.506 HD23 HD21 ' A' ' 59' ' ' LEU . 87.5 mt -65.57 -47.92 74.14 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.994 -0.548 . . . . 75.54 110.752 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.27 -33.09 74.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 73.12 111.027 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.49 -31.73 70.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.87 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.562 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.4 OUTLIER -101.79 20.83 15.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 72.53 111.187 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 ttmm 57.92 30.6 19.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.443 -0.344 . . . . 53.02 111.03 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.562 HG23 ' HB3' ' A' ' 25' ' ' GLU . 30.9 t -79.79 96.56 2.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 63.02 111.05 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -64.14 110.22 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.02 110.934 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -89.22 129.24 40.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.12 111.138 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 49' ' ' GLU . 13.2 mt -83.71 -38.13 21.81 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 72.1 110.887 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.693 ' HB3' HG22 ' B' ' 35' ' ' THR . 3.9 m -173.17 170.92 4.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 72.51 111.096 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -168.06 155.21 8.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.284 -0.416 . . . . 42.04 111.217 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -163.63 134.83 4.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 71.53 110.776 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.497 HG23 ' C ' ' A' ' 43' ' ' ILE . 13.5 p -122.97 139.66 49.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.0 0.429 . . . . 74.4 111.649 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 26.4 p -136.7 132.97 35.62 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 115.831 -0.622 . . . . 73.22 110.742 179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -59.4 108.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.24 111.05 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.784 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -59.95 -68.8 0.25 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.265 -0.425 . . . . 63.51 110.802 179.832 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.746 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -113.44 -91.93 1.94 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.864 -0.684 . . . . 40.34 112.456 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.53 -76.58 0.58 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.773 0.32 . . . . 74.35 110.802 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.429 ' O ' HD23 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -96.59 33.11 1.89 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.054 0.454 . . . . 74.31 110.487 179.698 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.746 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.8 m -137.46 122.29 24.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.745 -0.662 . . . . 74.23 111.237 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -121.81 125.59 46.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.298 -0.41 . . . . 74.01 111.263 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.784 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.7 mt -89.85 109.53 20.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 70.43 110.819 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.481 ' HB3' HD11 ' A' ' 15' ' ' LEU . 60.3 p -101.46 123.89 46.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.891 0.377 . . . . 73.14 111.29 -179.574 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 30.8 ttt180 -99.96 151.04 21.79 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.026 -0.534 . . . . 43.44 110.623 179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -145.76 125.47 13.38 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.928 0.394 . . . . 64.33 111.177 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.3 m -111.8 126.4 55.03 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.044 -0.525 . . . . 74.21 110.681 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.668 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.6 p90 -150.65 138.47 19.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.299 -0.41 . . . . 74.22 111.116 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.45 ' HB2' HD11 ' A' ' 30' ' ' LEU . 4.4 tt0 -88.8 112.67 23.49 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.144 -0.48 . . . . 64.54 110.936 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 16.8 mmt -150.01 164.29 35.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 73.44 110.979 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.23 17.07 4.58 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.73 -0.748 . . . . 74.22 112.74 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.425 ' HB2' ' CE1' ' A' ' 55' ' ' HIS . 3.7 m-20 -106.39 120.93 46.98 Favored Pre-proline 0 C--N 1.331 -0.219 0 CA-C-O 120.608 0.242 . . . . 72.15 110.806 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.29 -24.2 2.09 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.564 2.176 . . . . 73.44 112.767 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.3 -44.24 79.69 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.802 0.334 . . . . 72.32 111.363 -179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 52' ' ' ASP . 5.3 p-80 -77.73 -39.27 44.98 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.327 -0.397 . . . . 71.35 110.436 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.688 HD23 ' O ' ' A' ' 56' ' ' LEU . 6.9 tt -70.71 -32.73 70.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.997 0.427 . . . . 75.0 110.016 179.001 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.77 -43.25 29.06 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.81 -0.709 . . . . 74.1 111.689 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -71.68 -30.13 65.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.799 0.333 . . . . 71.33 110.72 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.899 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.3 OUTLIER -57.65 -43.69 85.13 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-O 120.867 0.365 . . . . 71.53 110.894 179.936 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.402 HD23 ' CG1' ' A' ' 72' ' ' VAL . 5.7 mt -57.57 -48.92 78.03 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.015 -0.539 . . . . 71.12 110.858 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -60.76 -41.53 95.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.62 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.08 99.54 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.99 -0.55 . . . . 71.12 110.8 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 59' ' ' LEU . 33.2 t -57.17 -30.14 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.002 -0.545 . . . . 74.43 110.901 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 84.1 mtt-85 -60.34 -30.59 69.64 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.223 -0.444 . . . . 71.05 110.761 179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -78.48 -3.52 43.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.162 -0.472 . . . . 74.2 111.445 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.49 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.8 t -77.25 104.13 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.474 0 CA-C-O 120.853 0.358 . . . . 74.54 110.747 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.475 ' O ' HD21 ' A' ' 14' ' ' LEU . 6.2 pt-20 -53.26 118.88 4.14 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.063 -0.517 . . . . 74.1 110.867 179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -20.74 25.72 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.644 -0.789 . . . . 72.24 112.533 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.67 HG22 ' HB2' ' A' ' 8' ' ' ALA . 40.5 t -88.36 127.45 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 CA-C-O 120.846 0.355 . . . . 72.24 111.173 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -73.2 -60.03 2.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 63.24 111.192 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -166.74 169.07 13.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.98 -0.555 . . . . 73.2 111.184 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.56 ' CG2' HG11 ' A' ' 63' ' ' VAL . 21.5 t -121.88 135.39 62.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.041 -0.527 . . . . 73.25 111.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -135.44 128.47 31.57 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.414 -0.357 . . . . 63.23 111.186 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 36.6 mtm180 -69.08 117.39 10.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 75.24 110.875 179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.499 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 17.4 t -85.91 140.21 16.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.329 -0.396 . . . . 75.21 111.26 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.482 HG22 ' C ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER 169.44 163.58 0.05 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.17 -0.468 . . . . 75.33 110.685 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -72.97 103.78 3.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.21 110.95 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.34 94.13 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 51.12 110.982 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.309 -0.853 . . . . 63.12 111.064 -179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.816 HD11 ' CD1' ' B' ' 30' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.882 0.372 . . . . 74.32 111.146 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 27.4 t -128.03 139.4 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.188 -0.46 . . . . 71.32 111.182 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.851 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -99.73 154.39 18.34 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.13 -0.486 . . . . 72.13 111.088 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.851 HD13 ' O ' ' B' ' 3' ' ' ALA . 11.4 mm -137.53 131.91 44.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 116.254 -0.43 . . . . 75.25 111.366 -179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.36 107.45 18.47 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.105 -0.498 . . . . 65.12 110.52 179.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 26.0 t -102.65 112.93 37.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 CA-C-N 116.29 -0.413 . . . . 54.42 111.41 -179.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.605 ' O ' HG13 ' B' ' 69' ' ' VAL . 16.3 mt-10 -95.97 136.58 36.22 Favored 'General case' 0 N--CA 1.452 -0.342 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.785 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.641 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.31 152.2 21.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.3 -0.409 . . . . 75.53 111.061 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 46.0 mt -58.44 148.17 29.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 73.32 110.928 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.87 98.71 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.364 -0.38 . . . . 73.03 110.875 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.458 ' HB2' HD12 ' B' ' 14' ' ' LEU . 0.6 OUTLIER -124.27 -169.23 1.93 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 62.53 110.94 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.6 t60 -111.68 -29.82 7.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 73.15 110.993 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.1 mmt85 -99.6 -25.21 14.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.286 -0.415 . . . . 73.14 111.251 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.684 HD21 ' O ' ' B' ' 67' ' ' GLU . 9.6 mt -54.55 -39.46 67.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.433 -0.349 . . . . 70.11 111.004 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.707 HD22 HG11 ' B' ' 34' ' ' VAL . 24.0 mt -59.27 -55.2 37.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 73.21 110.321 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -59.19 -31.19 68.79 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.74 -0.663 . . . . 63.11 110.249 179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -64.36 -46.47 83.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.993 -0.549 . . . . 73.14 110.272 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.6 HG23 ' O ' ' B' ' 14' ' ' LEU . 25.4 t -64.58 -42.83 96.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.934 -0.575 . . . . 75.1 110.526 179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.681 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.78 -40.98 79.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.877 -0.601 . . . . 41.42 110.197 179.4 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 2.6 ttp180 -69.48 -36.54 76.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.9 -0.591 . . . . 75.32 110.759 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.09 -51.29 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.092 -0.504 . . . . 70.35 110.71 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.434 HD13 HD11 ' B' ' 29' ' ' ILE . 40.7 mt -72.41 -30.99 65.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.788 -0.642 . . . . 75.11 110.66 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.88 -26.48 57.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.061 -0.518 . . . . 75.2 111.069 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -54.18 -36.93 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.947 0.403 . . . . 74.53 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -102.14 17.93 22.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.072 -0.513 . . . . 73.12 110.982 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 55.69 25.35 8.1 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.335 -0.393 . . . . 75.5 111.178 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 42.0 t -59.25 91.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.331 -0.395 . . . . 53.34 110.542 179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -63.83 100.33 0.29 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.182 -0.463 . . . . 74.34 110.971 -179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.858 HD12 ' ND1' ' A' ' 12' ' ' HIS . 5.0 mt -88.27 127.98 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.873 -0.603 . . . . 75.34 110.234 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.816 ' CD1' HD11 ' B' ' 1' ' ' LEU . 68.5 mt -74.34 -22.24 59.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.802 0.334 . . . . 74.53 110.828 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -140.56 134.19 30.21 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.2 -0.455 . . . . 64.02 110.64 179.404 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.68 121.52 16.54 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.192 -0.458 . . . . 74.31 110.435 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 13.4 t -156.85 128.2 6.97 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-O 120.836 0.351 . . . . 63.14 111.814 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.707 HG11 HD22 ' B' ' 15' ' ' LEU . 9.3 p -131.11 121.58 49.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.087 -0.506 . . . . 72.43 111.048 179.421 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.693 HG22 ' HB3' ' A' ' 31' ' ' SER . 81.0 p -136.63 154.02 50.77 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 116.283 -0.417 . . . . 74.23 111.164 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 10.2 t -80.18 129.9 34.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.838 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.429 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -80.16 -26.52 39.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 74.14 111.144 -179.875 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -176.65 -114.12 0.37 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.705 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -102.01 117.59 35.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.821 0.343 . . . . 74.2 111.163 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 52.75 36.25 20.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.116 -0.493 . . . . 65.54 111.237 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.584 ' O ' HG13 ' B' ' 41' ' ' VAL . 9.1 p -137.59 107.55 4.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.92 -0.582 . . . . 72.23 111.059 179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.641 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -104.14 145.72 29.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 44.34 111.152 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.429 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.0 mt -130.11 114.23 28.77 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.218 -0.446 . . . . 62.24 111.216 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.78 146.98 25.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.114 -0.494 . . . . 61.43 110.738 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -133.19 120.34 21.04 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 116.296 -0.411 . . . . 75.41 110.296 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.574 ' HB3' HG21 ' B' ' 29' ' ' ILE . 90.7 m-85 -129.52 125.36 36.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.959 0.409 . . . . 74.55 111.665 -179.543 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 80.1 m -116.3 115.1 25.31 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.816 -0.629 . . . . 74.41 109.694 178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' B' ' 29' ' ' ILE . 2.9 p90 -136.2 171.25 14.75 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 121.104 0.478 . . . . 75.24 111.624 -179.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -88.31 125.53 34.72 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.651 -0.704 . . . . 73.22 110.546 179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.696 ' SD ' HD22 ' B' ' 56' ' ' LEU . 2.0 ttp -108.97 157.26 18.82 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.982 0.42 . . . . 70.1 111.449 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -146.05 -45.72 0.04 OUTLIER Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 121.084 -0.579 . . . . 74.52 112.234 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.43 142.02 24.02 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.623 0.249 . . . . 63.05 110.71 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -77.6 -26.16 7.33 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.613 2.209 . . . . 52.15 112.618 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 9.9 ttmm -65.32 -34.56 78.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 73.14 111.318 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 14.3 m-70 -77.41 -44.29 29.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.839 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.696 HD22 ' SD ' ' B' ' 50' ' ' MET . 6.3 tp -73.6 -31.73 63.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 53.33 110.241 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.22 -42.34 28.89 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.763 -0.732 . . . . 72.44 111.9 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -76.33 -30.67 57.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.834 0.349 . . . . 73.3 110.867 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.872 ' O ' HG23 ' B' ' 63' ' ' VAL . 11.3 mt -62.85 -47.9 81.38 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.268 -0.423 . . . . 60.14 110.962 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.45 -45.33 94.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.906 -0.588 . . . . 72.13 110.718 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.59 -38.27 89.46 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.198 -0.455 . . . . 52.41 110.785 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.32 -43.68 90.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.103 -0.499 . . . . 62.43 110.8 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.872 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.4 t -57.67 -31.96 41.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.907 -0.588 . . . . 53.41 110.927 179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -61.16 -28.33 69.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 74.12 110.693 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 5.4 m-80 -81.69 1.0 36.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 73.03 111.467 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 63' ' ' VAL . 22.2 t -79.01 104.17 6.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 CA-C-O 120.85 0.357 . . . . 74.32 110.671 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.684 ' O ' HD21 ' B' ' 14' ' ' LEU . 3.9 tt0 -52.53 120.11 5.25 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.089 -0.505 . . . . 70.54 110.967 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.424 ' HA3' HD11 ' B' ' 14' ' ' LEU . . . 110.2 -24.06 19.35 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.846 -0.692 . . . . 74.01 112.709 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.605 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.5 t -81.32 124.05 38.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 CA-C-O 120.776 0.322 . . . . 75.03 110.933 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.2 -60.15 2.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.41 110.962 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -166.78 169.1 13.65 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.863 -0.608 . . . . 71.54 110.943 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.47 HG21 ' CG1' ' B' ' 63' ' ' VAL . 23.8 t -129.31 136.06 60.32 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.133 -0.485 . . . . 72.14 111.219 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.3 133.14 38.55 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.275 -0.421 . . . . 71.41 111.168 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 59.4 mtp180 -71.94 112.75 8.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 73.22 110.808 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.552 ' O ' HG23 ' B' ' 76' ' ' THR . 21.4 t -85.85 159.03 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.221 -0.445 . . . . 70.32 111.235 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.552 HG23 ' O ' ' B' ' 75' ' ' VAL . 8.8 p -160.37 138.14 9.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.306 -0.406 . . . . 70.41 110.895 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.62 -35.33 13.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 64.34 110.874 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.7 84.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 72.03 111.119 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.221 -0.895 . . . . 72.31 111.113 179.957 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.469 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.2 pp . . . . . 0 N--CA 1.487 1.414 0 CA-C-O 120.821 0.343 . . . . 75.31 111.207 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.6 t -82.25 145.93 7.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.156 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -103.42 162.57 12.91 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.25 -0.432 . . . . 74.21 110.989 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 48' ' ' PHE . 26.6 mt -138.46 132.08 40.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.33 -0.395 . . . . 71.33 111.377 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -106.81 104.73 14.48 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.979 -0.555 . . . . 71.15 110.539 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -102.43 112.75 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.257 -0.429 . . . . 64.13 111.299 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.568 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.2 tt0 -90.59 129.18 36.75 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.159 -0.473 . . . . 72.24 110.655 179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.645 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.35 166.03 32.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.361 -0.381 . . . . 73.52 111.321 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.53 ' O ' HD12 ' A' ' 14' ' ' LEU . 7.0 mt -51.16 143.33 11.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 53.54 111.095 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.622 ' OD2' HG23 ' A' ' 36' ' ' THR . 3.1 m-20 -62.77 82.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.214 -0.448 . . . . 71.14 111.122 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -153.61 121.84 6.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.794 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.842 ' ND1' HD12 ' B' ' 29' ' ' ILE . 44.6 t60 -60.23 -19.69 55.59 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.502 -0.317 . . . . 72.33 110.852 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -64.31 -35.69 81.67 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.904 0.383 . . . . 71.35 110.565 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.708 ' O ' HG23 ' A' ' 18' ' ' VAL . 32.2 mt -65.96 -61.05 2.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.037 -0.529 . . . . 72.12 110.648 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.542 HD13 ' HB3' ' B' ' 32' ' ' ALA . 0.0 OUTLIER -51.61 -36.49 46.01 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.894 -0.594 . . . . 73.23 110.739 179.793 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 p -65.83 -50.16 65.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.154 -0.476 . . . . 64.41 110.379 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -60.0 -38.72 83.45 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.033 -0.53 . . . . 74.11 110.611 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 14' ' ' LEU . 22.6 t -67.29 -39.51 83.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.523 . . . . 63.45 110.775 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.72 HG21 HD22 ' B' ' 15' ' ' LEU . 72.4 m -64.62 -41.13 96.39 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.01 -0.541 . . . . 72.25 110.461 179.633 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 33.8 ttt180 -60.24 -42.38 95.17 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.89 -0.595 . . . . 73.3 110.663 179.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.84 91.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.926 -0.579 . . . . 74.43 110.874 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.543 ' O ' HG23 ' A' ' 27' ' ' VAL . 77.6 mt -64.98 -52.28 57.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.941 -0.572 . . . . 75.54 110.731 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.45 -33.09 73.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.116 -0.493 . . . . 73.12 110.968 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -58.36 -29.8 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 72.31 110.867 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -101.7 20.55 16.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 72.53 111.085 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt 60.38 40.43 17.46 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.891 0.377 . . . . 53.02 111.006 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 22' ' ' LEU . 24.3 t -92.45 93.68 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.102 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 9.4 p-10 -65.11 113.57 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 63.02 110.929 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.6 mp -92.91 125.13 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.208 -0.451 . . . . 73.12 111.079 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.566 HD11 ' HB2' ' A' ' 49' ' ' GLU . 55.7 mt -75.64 -37.86 59.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.213 -0.448 . . . . 72.1 110.902 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.18 171.54 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.079 -0.51 . . . . 72.51 110.9 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.84 155.72 8.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 42.04 111.148 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -163.58 128.91 3.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.096 -0.502 . . . . 71.53 110.744 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.443 HG12 ' HB3' ' B' ' 32' ' ' ALA . 13.7 p -115.87 141.41 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 120.977 0.418 . . . . 74.4 111.652 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 2.7 m -136.69 149.0 47.67 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.951 -0.568 . . . . 73.22 110.715 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.622 HG23 ' OD2' ' A' ' 10' ' ' ASP . 5.4 m -69.61 109.5 4.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.435 . . . . 71.24 111.042 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.752 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -60.12 -35.27 74.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 63.51 110.958 179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -162.22 -86.31 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.747 -0.74 . . . . 40.34 112.376 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -121.77 -77.94 0.59 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.824 0.345 . . . . 74.35 110.746 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.5 mtm180 -96.98 32.62 2.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.056 0.455 . . . . 74.31 110.357 179.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.417 HG23 ' HB3' ' A' ' 37' ' ' SER . 3.2 m -137.54 130.28 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.65 -0.704 . . . . 74.23 111.186 179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.4 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -128.68 123.63 33.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.01 111.228 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.752 HD11 ' OG ' ' A' ' 37' ' ' SER . 8.6 mt -89.77 109.74 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.048 -0.524 . . . . 70.43 110.846 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.432 ' HA ' ' HA ' ' A' ' 34' ' ' VAL . 1.1 t -98.06 123.86 42.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.905 0.383 . . . . 73.14 111.27 -179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.405 ' O ' ' CD2' ' A' ' 46' ' ' PHE . 2.8 mpt_? -99.8 148.14 24.73 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.085 -0.507 . . . . 43.44 110.635 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.405 ' CD2' ' O ' ' A' ' 45' ' ' ARG . 21.5 m-85 -146.88 125.54 12.55 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 120.957 0.408 . . . . 64.33 111.322 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.3 m -114.1 121.11 42.79 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.957 -0.565 . . . . 74.21 110.551 179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.598 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.5 OUTLIER -150.87 140.74 21.9 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.904 0.383 . . . . 74.22 111.272 -179.795 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.566 ' HB2' HD11 ' A' ' 30' ' ' LEU . 0.1 OUTLIER -88.82 125.39 34.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 64.54 110.843 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.777 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -149.97 165.84 31.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.308 -0.406 . . . . 73.44 111.056 179.886 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.92 -43.18 0.17 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.83 -0.7 . . . . 74.22 112.429 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.46 121.07 45.54 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.54 0.209 . . . . 72.15 110.833 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.52 -31.12 9.2 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.411 2.074 . . . . 73.44 112.39 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -64.32 -36.29 83.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 72.32 110.917 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -77.56 -44.27 29.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.66 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.777 HD21 ' CB ' ' A' ' 50' ' ' MET . 6.9 mt -69.96 -33.87 72.65 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.969 0.414 . . . . 75.0 110.133 179.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.07 -40.45 34.79 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.685 -0.769 . . . . 74.1 111.759 179.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 18.8 t-80 -72.69 -31.03 64.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.749 0.309 . . . . 71.33 110.859 179.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.887 ' O ' HG23 ' A' ' 63' ' ' VAL . 1.3 mp -62.24 -46.77 87.39 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.961 0.41 . . . . 71.53 110.913 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.3 mt -58.34 -49.28 77.78 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.929 -0.578 . . . . 71.12 110.86 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 23.0 t30 -60.96 -39.19 88.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 75.44 110.743 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.15 99.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.035 -0.53 . . . . 71.12 110.853 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.887 HG23 ' O ' ' A' ' 59' ' ' LEU . 16.1 t -57.49 -29.94 35.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.017 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 5.8 mtm-85 -61.34 -29.12 69.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.465 . . . . 71.05 110.867 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -81.87 0.83 37.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.29 -0.414 . . . . 74.2 111.541 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -79.01 104.21 6.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 120.901 0.381 . . . . 74.54 110.789 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -53.28 120.46 6.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.02 -0.536 . . . . 74.1 110.565 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -21.19 24.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.653 -0.784 . . . . 72.24 112.583 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.645 HG22 ' HB2' ' A' ' 8' ' ' ALA . 47.9 t -87.18 128.14 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 CA-C-O 120.778 0.323 . . . . 72.24 111.073 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -77.68 -54.4 6.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 63.24 111.281 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -166.68 169.15 13.79 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.157 -0.474 . . . . 73.2 111.093 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.403 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.2 t -125.07 138.61 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.21 -0.45 . . . . 73.25 111.465 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.3 m-85 -135.52 126.39 27.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.243 -0.435 . . . . 63.23 111.149 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 120.95 14.42 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.9 179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.691 HG12 HG23 ' A' ' 76' ' ' THR . 57.8 t -101.21 161.18 3.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.222 -0.445 . . . . 75.21 111.302 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.691 HG23 HG12 ' A' ' 75' ' ' VAL . 18.7 p 56.96 -170.59 0.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.938 -0.574 . . . . 75.33 111.095 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -170.94 -42.39 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 74.21 110.844 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -88.37 172.02 9.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 51.12 111.106 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.205 -0.903 . . . . 63.12 111.103 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 44.5 tp . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.842 0.353 . . . . 74.32 111.195 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.492 HG11 HD11 ' B' ' 56' ' ' LEU . 22.2 t -128.08 139.52 51.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 116.143 -0.481 . . . . 71.32 111.205 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.489 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -102.32 163.39 12.26 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.056 -0.52 . . . . 72.13 110.997 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.461 HD11 ' CE1' ' B' ' 48' ' ' PHE . 28.8 mt -140.58 131.95 30.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.29 -0.413 . . . . 75.25 111.546 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -108.52 106.22 16.21 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.005 -0.543 . . . . 65.12 110.585 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.408 HG13 HG22 ' B' ' 72' ' ' VAL . 28.5 t -102.45 113.87 40.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 CA-C-N 116.309 -0.405 . . . . 54.42 111.552 -179.474 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.648 ' HB3' HD12 ' B' ' 43' ' ' ILE . 2.4 pt-20 -101.8 124.53 47.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.3 -0.409 . . . . 75.13 110.604 179.613 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.678 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -145.34 166.19 26.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.214 -0.448 . . . . 75.53 111.297 -179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.432 ' O ' HD23 ' B' ' 14' ' ' LEU . 76.0 mt -59.13 138.24 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 73.32 110.915 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -60.73 96.6 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.267 -0.424 . . . . 73.03 110.927 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.59 167.57 19.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 62.53 110.799 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 50.5 m80 -86.59 -64.08 1.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.926 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.53 -26.91 64.02 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.013 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.678 HD21 ' HB1' ' B' ' 8' ' ' ALA . 11.4 tp -54.85 -40.16 69.36 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.276 -0.42 . . . . 70.11 110.935 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.72 HD22 HG21 ' A' ' 19' ' ' THR . 1.7 tt -59.03 -53.91 53.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.529 179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 2.6 t -58.69 -34.2 71.02 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.72 -0.673 . . . . 63.11 110.378 179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -63.2 -45.83 89.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.019 -0.537 . . . . 73.14 110.387 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.662 HG23 ' O ' ' B' ' 14' ' ' LEU . 23.7 t -63.37 -44.52 99.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.947 -0.57 . . . . 75.1 110.567 179.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.641 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.75 -41.09 88.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.804 -0.635 . . . . 41.42 110.321 179.485 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp180 -68.49 -37.5 80.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.787 -0.642 . . . . 75.32 110.786 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.24 -51.56 69.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 70.35 110.898 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' B' ' 46' ' ' PHE . 78.8 mt -71.39 -32.5 68.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.821 -0.627 . . . . 75.11 110.641 179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.13 -25.85 58.75 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.043 -0.526 . . . . 75.2 111.154 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.74 -37.42 59.33 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.945 0.402 . . . . 74.53 110.94 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -102.34 19.62 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.0 -0.545 . . . . 73.12 110.946 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 54.07 27.13 7.18 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.29 -0.414 . . . . 75.5 111.19 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.45 92.19 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 53.34 110.549 179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 t-20 -63.88 100.44 0.3 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 74.34 110.856 -179.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.842 HD12 ' ND1' ' A' ' 12' ' ' HIS . 6.6 mt -87.73 129.45 39.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.994 -0.548 . . . . 75.34 110.549 179.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' B' ' 47' ' ' THR . 78.5 mt -74.58 -31.84 62.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.041 0.448 . . . . 74.53 109.908 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.425 ' O ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -132.97 131.18 40.47 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.801 -0.636 . . . . 64.02 110.381 179.085 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.542 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . -138.73 122.0 17.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.157 -0.474 . . . . 74.31 110.559 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 59.9 p -159.65 135.48 8.6 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.933 0.397 . . . . 63.14 111.65 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.449 ' O ' HG13 ' B' ' 34' ' ' VAL . 12.2 p -131.13 122.8 52.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.067 -0.515 . . . . 72.43 111.087 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 11.3 t -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.138 -0.483 . . . . 74.23 111.0 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 21.0 p -61.65 134.52 56.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 73.42 110.915 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -83.93 -35.45 24.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.14 110.896 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.31 -80.33 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.834 -0.698 . . . . 71.54 112.334 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -135.51 -71.93 0.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 74.2 110.682 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 20.2 mtp180 -98.67 34.13 2.12 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.035 0.445 . . . . 65.54 110.369 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 p -137.49 138.98 44.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.701 -0.681 . . . . 72.23 111.334 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -127.31 121.82 32.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 44.34 111.03 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.648 HD12 ' HB3' ' B' ' 7' ' ' GLU . 0.7 OUTLIER -105.23 131.43 54.51 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-N 116.285 -0.416 . . . . 62.24 111.238 -179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.84 154.78 19.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 61.43 110.658 179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -136.03 117.55 14.82 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 116.313 -0.403 . . . . 75.41 110.461 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.546 ' CD2' HD13 ' B' ' 29' ' ' ILE . 56.8 m-85 -124.05 125.38 44.42 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 116.26 -0.427 . . . . 74.55 111.507 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.484 ' O ' ' N ' ' B' ' 30' ' ' LEU . 39.0 m -113.17 115.3 28.03 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 115.909 -0.587 . . . . 74.41 110.046 179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.461 ' CE1' HD11 ' B' ' 4' ' ' ILE . 4.5 p90 -132.96 148.99 52.27 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.944 0.402 . . . . 75.24 111.519 -179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -95.02 111.98 23.73 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-N 115.905 -0.589 . . . . 73.22 110.788 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 165.73 31.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 70.1 111.089 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -137.99 15.19 3.53 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.834 -0.698 . . . . 74.52 112.702 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -106.65 99.14 23.39 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-O 120.578 0.228 . . . . 63.05 110.867 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -53.16 -25.83 31.1 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.463 2.109 . . . . 52.15 112.43 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' B' ' 58' ' ' HIS . 0.6 OUTLIER -65.83 -36.73 84.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.307 -0.406 . . . . 73.14 111.093 -179.782 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.494 ' O ' HD12 ' B' ' 59' ' ' LEU . 65.6 m80 -77.53 -44.2 29.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.255 -0.429 . . . . 74.11 110.685 -179.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.677 ' O ' HD23 ' B' ' 56' ' ' LEU . 4.3 tt -72.18 -32.27 66.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.197 179.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.51 -41.65 29.37 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.733 -0.746 . . . . 72.44 111.851 179.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' B' ' 54' ' ' LYS . 12.8 m-70 -74.95 -30.77 61.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.711 0.291 . . . . 73.3 110.75 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.823 ' O ' HG23 ' B' ' 63' ' ' VAL . 4.2 mt -64.54 -49.22 72.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.929 0.395 . . . . 60.14 110.8 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.04 -49.82 76.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.931 -0.577 . . . . 72.13 110.727 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -61.94 -33.88 75.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 52.41 110.585 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.18 -44.28 84.45 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 62.43 110.738 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.823 HG23 ' O ' ' B' ' 59' ' ' LEU . 16.7 t -56.05 -32.16 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.938 -0.573 . . . . 53.41 111.125 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt-85 -60.1 -31.34 69.94 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 74.12 110.735 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -77.06 -7.94 56.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.143 -0.48 . . . . 73.03 111.421 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' B' ' 63' ' ' VAL . 19.9 t -76.65 104.17 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 CA-C-O 120.851 0.358 . . . . 74.32 110.763 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -50.97 120.76 5.17 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.015 -0.539 . . . . 70.54 110.849 179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -24.05 19.5 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.807 -0.711 . . . . 74.01 112.714 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.726 HG11 HG12 ' B' ' 63' ' ' VAL . 70.3 t -80.4 121.95 34.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 120.859 0.361 . . . . 75.03 110.959 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -68.86 -59.04 3.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 75.41 111.085 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -166.88 169.06 13.51 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.943 -0.572 . . . . 71.54 111.186 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' B' ' 63' ' ' VAL . 21.8 t -131.5 140.0 49.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.887 -0.597 . . . . 72.14 111.092 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -135.25 122.98 22.3 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.296 -0.411 . . . . 71.41 111.199 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptt180 -65.38 110.12 2.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 73.22 110.803 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.61 ' O ' HG23 ' B' ' 76' ' ' THR . 21.6 t -85.95 159.0 3.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 70.32 111.199 -179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.61 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.8 OUTLIER -165.39 -74.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 70.41 110.949 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -157.93 120.28 3.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 64.34 110.921 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -100.84 103.05 14.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.03 111.096 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.234 -0.888 . . . . 72.31 111.103 -179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.56 HD23 HD13 ' A' ' 30' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.834 0.35 . . . . 75.31 111.083 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.4 t -82.35 139.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 64.2 111.118 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.639 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -104.63 157.45 17.17 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.124 -0.489 . . . . 74.21 110.992 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.639 HD13 ' O ' ' A' ' 3' ' ' ALA . 22.4 mm -136.89 131.97 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 116.27 -0.423 . . . . 71.33 111.399 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -106.52 114.42 28.52 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.017 -0.538 . . . . 71.15 110.354 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -108.39 112.87 42.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-O 120.833 0.349 . . . . 64.13 111.705 -179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -95.99 107.92 20.25 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.526 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.655 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -139.17 169.04 18.5 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.844 0.354 . . . . 73.52 111.467 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.499 HD12 ' O ' ' A' ' 40' ' ' ARG . 35.2 tp -54.83 153.7 5.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.027 -0.533 . . . . 53.54 111.045 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.695 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 21.7 p-10 -66.57 79.96 0.1 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.087 -0.506 . . . . 71.14 111.246 -179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -153.57 133.92 13.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.23 110.639 179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.748 ' HB2' HD12 ' B' ' 29' ' ' ILE . 0.5 OUTLIER -68.02 -13.33 62.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.526 -0.306 . . . . 72.33 111.187 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -70.44 -29.36 65.92 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.81 0.338 . . . . 71.35 110.831 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.655 ' HG ' ' HB1' ' A' ' 8' ' ' ALA . 3.8 mm? -65.51 -60.27 3.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.047 0.451 . . . . 72.12 110.804 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.717 HD21 ' HA ' ' A' ' 12' ' ' HIS . 0.1 OUTLIER -57.0 -37.26 71.42 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.868 -0.605 . . . . 73.23 110.698 179.823 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.45 ' HB3' HG22 ' B' ' 19' ' ' THR . 6.6 p -67.13 -41.0 86.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.529 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -63.35 -42.97 98.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.529 . . . . 74.11 110.563 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.6 t -67.64 -38.24 80.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.991 -0.549 . . . . 63.45 110.679 179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.808 ' HA ' HD12 ' A' ' 22' ' ' LEU . 75.7 m -65.81 -37.39 86.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.547 179.617 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -60.5 -40.49 91.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.982 -0.554 . . . . 73.3 110.679 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.86 -38.4 88.75 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.956 -0.565 . . . . 74.43 110.917 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.808 HD12 ' HA ' ' A' ' 19' ' ' THR . 12.8 mt -65.04 -48.71 72.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.957 -0.565 . . . . 75.54 110.826 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.81 -32.09 72.4 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.107 -0.497 . . . . 73.12 111.105 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -59.31 -30.89 68.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.31 110.935 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -102.88 21.68 15.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.225 -0.443 . . . . 72.53 111.164 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.94 39.14 29.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.039 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 22.0 t -95.41 107.21 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 63.02 111.111 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -74.29 126.81 31.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 63.02 110.966 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.31 131.24 43.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.177 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.914 ' HB2' HG23 ' A' ' 47' ' ' THR . 70.5 mt -75.14 -36.66 61.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 72.1 110.873 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.436 ' HB2' HG22 ' A' ' 47' ' ' THR . 0.4 OUTLIER -171.12 164.87 7.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.51 111.039 179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HA ' ' HA ' ' A' ' 46' ' ' PHE . . . -159.51 146.84 16.95 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.267 -0.424 . . . . 42.04 111.308 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.8 p -163.59 138.63 6.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 71.53 110.852 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.535 HG11 HD22 ' A' ' 15' ' ' LEU . 14.2 p -130.94 143.12 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-N 116.423 -0.353 . . . . 74.4 111.421 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.4 m -136.76 154.03 50.68 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.105 -0.498 . . . . 73.22 110.877 179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 70.3 p -75.89 114.06 14.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 71.24 111.092 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.759 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -75.09 -38.45 61.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 63.51 111.253 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.33 74.59 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.493 -0.86 . . . . 40.34 112.928 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 63.17 -79.78 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.639 0.257 . . . . 74.35 111.593 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.2 OUTLIER -92.56 31.57 1.33 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.072 0.463 . . . . 74.31 111.232 -179.578 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.411 ' CG1' ' HB3' ' A' ' 37' ' ' SER . 11.6 t -137.82 139.11 43.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.855 -0.611 . . . . 74.23 110.957 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.695 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -134.71 115.76 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.933 0.397 . . . . 74.01 111.418 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.759 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.5 mt -89.93 109.14 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.026 -0.534 . . . . 70.43 110.707 179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.81 141.67 30.52 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.248 -0.433 . . . . 73.14 110.839 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 22.0 ttt180 -143.84 121.96 12.18 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.099 -0.501 . . . . 43.44 110.459 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.411 ' HA ' ' HA ' ' A' ' 32' ' ' ALA . 18.7 p90 -143.47 139.13 29.71 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-O 120.983 0.421 . . . . 64.33 111.629 -179.681 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.914 HG23 ' HB2' ' A' ' 30' ' ' LEU . 10.0 t -106.46 137.86 43.68 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.864 -0.607 . . . . 74.21 110.595 179.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -150.93 169.67 21.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.321 -0.399 . . . . 74.22 111.061 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -88.73 165.7 14.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.131 -0.486 . . . . 64.54 110.87 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.48 ' CB ' HD21 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -149.95 165.76 31.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 116.248 -0.433 . . . . 73.44 110.976 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -147.86 -58.7 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.72 -0.752 . . . . 74.22 112.558 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.401 ' O ' HD23 ' A' ' 56' ' ' LEU . 7.0 m-20 -100.86 147.15 33.28 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 120.719 0.295 . . . . 72.15 110.907 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -74.49 -27.78 10.75 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.534 2.156 . . . . 73.44 112.434 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -62.17 -36.58 82.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 72.32 110.899 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.43 -43.23 33.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 71.35 110.613 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.48 HD21 ' CB ' ' A' ' 50' ' ' MET . 4.1 mm? -69.32 -33.99 73.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 75.0 110.093 179.326 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.05 -40.96 33.49 Favored Glycine 0 N--CA 1.448 -0.538 0 C-N-CA 120.705 -0.76 . . . . 74.1 111.707 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -74.07 -32.57 63.33 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.838 0.351 . . . . 71.33 110.681 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.893 ' O ' HG23 ' A' ' 63' ' ' VAL . 39.9 tp -63.33 -47.57 81.63 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.291 -0.413 . . . . 71.53 110.822 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.61 -47.15 86.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.981 -0.554 . . . . 71.12 110.768 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -62.35 -38.04 88.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.119 -0.491 . . . . 75.44 110.637 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.28 95.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.195 -0.457 . . . . 71.12 110.783 179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.893 HG23 ' O ' ' A' ' 59' ' ' LEU . 16.7 t -57.51 -31.77 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.995 -0.548 . . . . 74.43 111.042 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -62.08 -27.7 69.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 71.05 110.795 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 48.3 m-20 -80.57 -0.99 40.17 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.209 -0.451 . . . . 74.2 111.477 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 63' ' ' VAL . 24.4 t -75.81 104.16 3.83 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.52 0 CA-C-O 120.926 0.393 . . . . 74.54 110.695 179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.53 ' O ' HD11 ' A' ' 14' ' ' LEU . 2.1 tp10 -51.63 119.98 4.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.075 -0.511 . . . . 74.1 110.832 179.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.589 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.13 -23.3 21.32 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.587 -179.721 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.599 HG22 ' HB2' ' A' ' 8' ' ' ALA . 44.2 t -85.52 117.53 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 CA-C-O 120.861 0.362 . . . . 72.24 111.098 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -70.05 -50.83 37.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.031 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.73 168.88 13.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.007 -0.542 . . . . 73.2 111.219 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.629 HG21 HG11 ' A' ' 63' ' ' VAL . 23.5 t -131.53 140.21 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.005 -0.543 . . . . 73.25 111.035 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -135.41 122.25 21.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.362 -0.381 . . . . 63.23 111.217 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -66.51 111.21 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 75.24 110.863 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.551 ' O ' HG23 ' A' ' 76' ' ' THR . 16.9 t -85.79 159.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 75.21 111.167 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.551 HG23 ' O ' ' A' ' 75' ' ' VAL . 1.7 p -161.59 102.65 1.2 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.221 -0.445 . . . . 75.33 110.897 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.57 103.84 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.925 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -153.19 75.73 1.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.147 -0.479 . . . . 51.12 111.057 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.214 -0.898 . . . . 63.12 111.108 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.0 tp . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.953 0.406 . . . . 74.32 111.212 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.18 149.21 4.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 71.32 111.279 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.553 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -126.59 157.53 38.62 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.151 -0.477 . . . . 72.13 110.937 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.65 HD11 ' HE2' ' B' ' 48' ' ' PHE . 9.3 mt -132.87 132.72 59.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.293 -0.412 . . . . 75.25 111.431 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -111.72 104.73 13.1 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.168 -0.469 . . . . 65.12 110.501 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.457 HG13 HG22 ' B' ' 72' ' ' VAL . 21.4 t -102.83 112.91 37.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-O 120.868 0.365 . . . . 54.42 111.648 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 69' ' ' VAL . 37.4 tt0 -93.43 134.16 35.97 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.159 -0.473 . . . . 75.13 110.546 179.623 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.767 ' HB1' HD23 ' B' ' 14' ' ' LEU . . . -159.27 160.25 35.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.874 0.369 . . . . 75.53 111.39 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 tp -57.89 153.73 13.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.068 -0.515 . . . . 73.32 110.923 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -70.11 65.32 0.25 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 73.03 111.072 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.7 mmm180 -112.98 129.62 56.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.21 -0.45 . . . . 62.53 110.944 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -57.57 -28.31 63.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 73.15 111.028 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.34 -29.5 34.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.25 -0.432 . . . . 73.14 110.938 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.767 HD23 ' HB1' ' B' ' 8' ' ' ALA . 1.8 mp -59.16 -51.53 69.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 70.11 110.943 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.4 HD13 HG21 ' B' ' 34' ' ' VAL . 50.5 tp -56.44 -49.51 74.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.046 -0.525 . . . . 73.21 110.565 179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.7 t -61.66 -35.08 76.92 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.861 -0.608 . . . . 63.11 110.217 179.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.671 ' OD2' HG13 ' B' ' 66' ' ' VAL . 5.4 t0 -62.3 -44.7 95.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.079 -0.51 . . . . 73.14 110.298 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.484 HG23 ' O ' ' B' ' 14' ' ' LEU . 41.9 t -63.8 -51.87 64.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.908 -0.587 . . . . 75.1 110.592 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.45 HG22 ' HB3' ' A' ' 16' ' ' SER . 0.2 OUTLIER -62.35 -32.58 73.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.916 -0.584 . . . . 41.42 110.142 179.381 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.37 -45.89 74.95 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 116.056 -0.52 . . . . 75.32 110.551 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.49 -43.99 68.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.032 -0.531 . . . . 70.35 110.453 179.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.719 HD23 HD11 ' B' ' 59' ' ' LEU . 17.3 mt -77.14 -27.59 53.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.592 -0.731 . . . . 75.11 110.329 179.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -66.41 -33.14 75.05 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.016 -0.538 . . . . 75.2 110.941 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.66 -30.71 22.82 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.202 -0.454 . . . . 74.53 110.809 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . 0.406 ' HG3' ' CE1' ' B' ' 55' ' ' HIS . 5.7 mm-40 -111.07 -13.35 14.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.972 -0.558 . . . . 73.12 110.985 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 27.4 tttt 67.08 38.79 3.35 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.877 0.37 . . . . 75.5 110.998 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.495 HG11 ' CE1' ' B' ' 48' ' ' PHE . 32.0 t -60.92 107.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 53.34 110.493 179.47 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -63.87 102.04 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.104 0.478 . . . . 74.34 110.829 -179.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.748 HD12 ' HB2' ' A' ' 12' ' ' HIS . 7.2 mt -85.48 133.21 30.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.662 -0.699 . . . . 75.34 110.308 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' B' ' 30' ' ' LEU . 28.3 mt -74.44 -25.2 59.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.788 0.328 . . . . 74.53 110.686 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.468 ' H ' HG22 ' B' ' 29' ' ' ILE . 1.0 OUTLIER -150.91 131.4 13.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.198 -0.455 . . . . 64.02 110.633 179.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.491 ' HB3' HD13 ' A' ' 15' ' ' LEU . . . -136.21 121.57 19.28 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.188 -0.46 . . . . 74.31 110.51 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 84.7 p -157.41 142.71 17.11 Favored 'General case' 0 N--CA 1.456 -0.168 0 CA-C-O 120.926 0.393 . . . . 63.14 111.648 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.429 ' HA ' ' HA ' ' B' ' 44' ' ' SER . 11.0 p -131.16 136.91 56.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 CA-C-N 116.084 -0.507 . . . . 72.43 111.252 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 35.3 p -136.62 153.75 50.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.119 -0.492 . . . . 74.23 110.932 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 47.9 p -78.84 123.65 27.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 73.42 110.941 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.788 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -64.58 -67.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 74.14 110.976 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.66 -99.58 0.23 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.71 -0.757 . . . . 71.54 112.542 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.521 ' O ' HG23 ' B' ' 41' ' ' VAL . 2.9 t70 -105.84 110.32 22.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.79 0.329 . . . . 74.2 110.928 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.77 39.53 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.875 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.6 t -137.18 136.66 47.04 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 116.172 -0.467 . . . . 72.23 111.17 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.13 144.04 50.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 44.34 111.15 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.788 HD11 ' OG ' ' B' ' 37' ' ' SER . 25.8 mt -130.06 113.85 27.7 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 CA-C-N 116.258 -0.428 . . . . 62.24 111.275 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 5.1 p -97.96 147.67 24.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 61.43 110.714 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 ttp180 -133.78 121.07 21.33 Favored 'General case' 0 N--CA 1.448 -0.533 0 CA-C-N 116.327 -0.397 . . . . 75.41 110.345 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.462 ' HB3' HG21 ' B' ' 29' ' ' ILE . 63.2 m-85 -125.06 125.25 43.51 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-O 120.986 0.422 . . . . 74.55 111.53 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 55.9 m -112.47 115.21 28.31 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 115.888 -0.596 . . . . 74.41 109.7 179.055 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.65 ' HE2' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -147.53 162.09 39.78 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.096 0.474 . . . . 75.24 111.784 -179.142 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.82 152.05 22.0 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 115.708 -0.678 . . . . 73.22 110.526 179.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.566 ' HE1' ' HB3' ' B' ' 55' ' ' HIS . 0.4 OUTLIER -149.96 148.38 29.01 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.929 0.395 . . . . 70.1 111.26 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -121.33 -36.87 0.72 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.806 -0.711 . . . . 74.52 112.346 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -101.39 128.53 28.96 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 120.536 0.208 . . . . 63.05 110.823 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.93 -12.54 21.67 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.509 2.14 . . . . 52.15 112.632 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.9 mtmp? -68.01 -43.32 79.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.888 0.375 . . . . 73.14 111.112 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.566 ' HB3' ' HE1' ' B' ' 50' ' ' MET . 3.1 t-160 -77.58 -44.33 28.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.122 -0.49 . . . . 74.11 110.769 -179.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.576 ' O ' HD23 ' B' ' 56' ' ' LEU . 1.3 tt -71.72 -32.43 67.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.861 0.362 . . . . 53.33 110.281 179.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.55 -39.94 28.72 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.674 -0.774 . . . . 72.44 111.928 179.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -78.26 -29.36 48.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.729 0.299 . . . . 73.3 110.878 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.864 ' O ' HG23 ' B' ' 63' ' ' VAL . 64.0 tp -64.48 -46.29 83.67 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.903 0.382 . . . . 60.14 110.916 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.426 HD13 HD23 ' B' ' 56' ' ' LEU . 3.8 mp -58.98 -51.25 70.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.962 -0.563 . . . . 72.13 110.727 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.39 -37.08 82.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 52.41 110.593 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.5 -40.09 96.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.089 -0.505 . . . . 62.43 110.683 179.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.864 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.4 t -56.22 -32.29 34.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.957 -0.565 . . . . 53.41 111.099 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 58.2 mtt180 -59.67 -30.43 68.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.289 -0.414 . . . . 74.12 110.813 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -75.03 -7.15 52.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.148 -0.478 . . . . 73.03 111.368 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.671 HG13 ' OD2' ' B' ' 17' ' ' ASP . 27.4 t -74.98 104.17 3.19 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 CA-C-O 120.832 0.348 . . . . 74.32 110.632 179.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -51.19 120.09 4.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.057 -0.52 . . . . 70.54 110.89 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.402 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.2 -24.16 19.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.705 -0.759 . . . . 74.01 112.777 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.545 HG22 ' HB2' ' B' ' 8' ' ' ALA . 60.7 t -80.85 121.82 34.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.881 0.372 . . . . 75.03 111.01 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -68.65 -58.53 4.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 111.066 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.86 169.07 13.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.923 -0.58 . . . . 71.54 111.132 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.457 HG22 HG13 ' B' ' 6' ' ' VAL . 21.4 t -127.29 131.73 70.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.043 -0.526 . . . . 72.14 111.056 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 30.3 m-85 -135.41 124.22 23.95 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 116.329 -0.396 . . . . 71.41 111.042 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 2.1 ptm180 -63.56 121.8 14.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.269 -0.423 . . . . 73.22 110.824 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.605 ' O ' HG23 ' B' ' 76' ' ' THR . 8.0 t -85.87 148.24 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 70.32 111.176 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.605 HG23 ' O ' ' B' ' 75' ' ' VAL . 3.6 p -162.55 -74.1 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 70.41 110.921 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 57.8 m -129.7 -46.23 1.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 64.34 110.959 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -164.17 81.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.03 111.122 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.247 -0.883 . . . . 72.31 111.106 -179.937 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.644 ' O ' HD23 ' A' ' 1' ' ' LEU . 7.5 tt . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.881 0.372 . . . . 75.31 111.181 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.5 t -82.3 138.78 18.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.02 -0.536 . . . . 64.2 111.248 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -105.6 160.93 14.81 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 116.074 -0.512 . . . . 74.21 110.961 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.722 HD11 ' CE2' ' A' ' 48' ' ' PHE . 20.8 mt -135.86 132.03 50.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.332 -0.395 . . . . 71.33 111.494 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -106.35 104.81 14.59 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.127 -0.488 . . . . 71.15 110.545 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.443 HG13 HG22 ' A' ' 72' ' ' VAL . 21.2 t -105.01 112.74 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.376 -0.374 . . . . 64.13 111.548 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.38 126.45 38.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.152 -0.476 . . . . 72.24 110.447 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.832 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -156.5 167.61 29.93 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.916 0.389 . . . . 73.52 111.602 -179.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.872 HD13 ' O ' ' A' ' 40' ' ' ARG . 4.0 mm? -55.17 153.72 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.968 -0.56 . . . . 53.54 111.061 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -70.37 81.99 0.56 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 71.14 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -149.49 125.89 10.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 74.23 110.799 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.495 ' CE1' ' HA ' ' B' ' 26' ' ' LYS . 0.3 OUTLIER -58.84 -27.67 65.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.404 -0.362 . . . . 72.33 111.073 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -58.11 -40.95 82.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.257 -0.429 . . . . 71.35 111.09 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.832 HD13 ' HB1' ' A' ' 8' ' ' ALA . 68.0 mt -59.81 -44.27 94.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.1 -0.5 . . . . 72.12 110.827 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.498 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.7 mm? -62.92 -41.62 99.53 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.009 -0.542 . . . . 73.23 110.607 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -65.7 -38.35 88.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.887 -0.597 . . . . 64.41 110.509 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.17 -42.73 88.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.642 179.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 14' ' ' LEU . 31.2 t -66.22 -41.28 88.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.983 -0.553 . . . . 63.45 110.89 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 75.8 m -67.13 -37.31 83.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.989 -0.55 . . . . 72.25 110.619 179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ttm-85 -65.39 -38.38 89.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.972 -0.558 . . . . 73.3 110.791 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.1 -43.6 98.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.066 -0.516 . . . . 74.43 110.966 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 27' ' ' VAL . 71.5 mt -67.64 -46.78 71.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.882 -0.599 . . . . 75.54 110.867 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.74 -28.7 69.76 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 73.12 111.119 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -57.49 -31.12 65.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.316 -0.402 . . . . 72.31 110.949 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.493 ' HB3' HG23 ' A' ' 27' ' ' VAL . 3.3 tt0 -106.22 25.69 10.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.278 -0.419 . . . . 72.53 110.99 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 56.55 30.57 17.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.316 -0.402 . . . . 53.02 111.102 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.493 HG23 ' HB3' ' A' ' 25' ' ' GLU . 26.3 t -79.22 96.28 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 63.02 111.09 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.21 117.1 6.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 63.02 110.913 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 15.0 mt -93.83 130.77 42.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 73.12 111.025 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 9.0 mt -75.21 -40.55 59.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 72.1 110.743 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.935 ' CB ' HG22 ' B' ' 35' ' ' THR . 1.7 p -173.2 164.94 4.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.086 -0.507 . . . . 72.51 110.924 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -163.37 150.84 12.88 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 42.04 111.271 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.406 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 24.4 p -163.76 138.62 6.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.186 -0.461 . . . . 71.53 110.824 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.781 HG23 ' C ' ' A' ' 43' ' ' ILE . 11.7 p -130.95 141.14 46.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.303 -0.408 . . . . 74.4 111.392 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.5 145.41 51.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.078 -0.51 . . . . 73.22 110.838 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.561 HG23 ' O ' ' A' ' 36' ' ' THR . 8.9 t -66.52 106.11 1.68 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 71.24 111.037 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.785 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -58.17 -37.69 75.19 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.196 -0.456 . . . . 63.51 110.949 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.671 ' N ' HG23 ' A' ' 41' ' ' VAL . . . -178.69 -113.76 0.39 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.644 -0.789 . . . . 40.34 112.6 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' O ' HG22 ' A' ' 41' ' ' VAL . 9.6 p-10 -91.75 113.26 25.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 74.35 111.058 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.872 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.5 OUTLIER 53.07 35.15 18.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.05 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.671 HG23 ' N ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -137.53 128.75 39.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.86 -0.609 . . . . 74.23 111.046 179.791 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.66 119.74 19.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 74.01 111.202 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.785 HD11 ' OG ' ' A' ' 37' ' ' SER . 3.8 mt -89.72 113.12 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.483 . . . . 70.43 110.905 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.585 ' N ' HG23 ' A' ' 34' ' ' VAL . 3.1 t -97.99 137.61 36.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.3 -0.409 . . . . 73.14 110.96 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 31.2 mtt180 -123.41 120.38 32.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.05 -0.523 . . . . 43.44 110.492 179.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 51.5 m-85 -108.95 156.69 19.42 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.943 0.401 . . . . 64.33 111.366 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.581 HG23 HD21 ' A' ' 1' ' ' LEU . 35.2 m -140.47 116.64 10.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.9 -0.591 . . . . 74.21 110.463 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.722 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.3 p90 -150.73 132.44 14.94 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.213 -0.449 . . . . 74.22 111.064 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -88.85 116.0 26.81 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.179 -0.464 . . . . 64.54 110.918 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 20.2 mmt -149.97 165.85 31.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.203 -0.453 . . . . 73.44 110.985 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.75 -47.46 0.44 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.491 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' A' ' 55' ' ' HIS . 1.3 m-20 -57.78 110.19 2.33 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.611 0.244 . . . . 72.15 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.469 ' HA ' ' HG ' ' A' ' 56' ' ' LEU . 82.7 Cg_endo -77.81 -0.86 11.05 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.421 2.081 . . . . 73.44 112.896 -179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -76.49 -41.43 47.12 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.782 0.325 . . . . 72.32 111.451 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.414 ' CD2' ' O ' ' A' ' 52' ' ' ASP . 30.8 p80 -77.32 -44.39 29.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.245 -0.434 . . . . 71.35 110.932 -179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.469 ' HG ' ' HA ' ' A' ' 53' ' ' PRO . 3.5 pp -73.77 -28.65 61.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.984 0.421 . . . . 75.0 110.089 179.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.64 -46.61 18.04 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.766 -0.73 . . . . 74.1 111.798 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -74.2 -30.9 62.43 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.791 0.329 . . . . 71.33 110.658 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.913 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.1 mt -59.34 -39.24 82.53 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.758 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.429 HD22 ' HD2' ' A' ' 74' ' ' ARG . 0.8 OUTLIER -58.74 -51.3 70.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 71.12 110.697 179.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.4 m-20 -61.42 -39.75 91.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 75.44 110.442 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.44 -38.53 87.51 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.055 -0.521 . . . . 71.12 110.653 179.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 59' ' ' LEU . 39.8 t -56.06 -30.45 29.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.93 -0.577 . . . . 74.43 110.835 179.677 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 4.6 mtp-105 -58.38 -32.96 69.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 71.05 110.726 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -75.18 -9.37 58.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.119 -0.491 . . . . 74.2 111.276 179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.498 HG23 ' HA ' ' A' ' 63' ' ' VAL . 22.0 t -74.18 104.1 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.85 0.357 . . . . 74.54 110.714 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -50.61 120.19 4.48 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 74.1 110.819 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.14 -23.35 21.2 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.783 -0.722 . . . . 72.24 112.485 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.744 HG11 HG12 ' A' ' 63' ' ' VAL . 52.0 t -85.54 119.01 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 120.847 0.356 . . . . 72.24 111.078 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 50.4 m-85 -72.01 -53.23 13.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 63.24 111.142 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -166.73 169.17 13.67 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.134 -0.485 . . . . 73.2 111.245 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.485 HG21 HG11 ' A' ' 63' ' ' VAL . 22.0 t -130.55 136.33 58.6 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-N 116.092 -0.504 . . . . 73.25 111.243 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -135.39 124.31 24.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 116.316 -0.402 . . . . 63.23 111.122 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.429 ' HD2' HD22 ' A' ' 60' ' ' LEU . 3.9 mpp_? -65.39 114.41 4.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 75.24 110.823 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.543 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.6 t -85.85 145.94 7.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.258 -0.428 . . . . 75.21 111.31 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.7 p -151.61 111.24 4.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 75.33 110.861 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -75.97 164.53 26.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 74.21 110.967 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -110.61 141.75 43.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 51.12 111.098 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.16 -0.924 . . . . 63.12 111.137 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.694 HD23 HD13 ' B' ' 30' ' ' LEU . 2.9 mp . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.856 0.36 . . . . 74.32 111.182 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 36.0 t -82.29 138.26 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 CA-C-N 116.193 -0.458 . . . . 71.32 111.177 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.838 ' O ' HD13 ' B' ' 4' ' ' ILE . . . -102.43 156.99 17.23 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.105 -0.498 . . . . 72.13 111.219 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.838 HD13 ' O ' ' B' ' 3' ' ' ALA . 16.3 mm -137.48 132.18 45.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 CA-C-N 116.213 -0.449 . . . . 75.25 111.274 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -104.63 108.87 20.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.588 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.7 t -102.56 112.88 37.47 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.273 -0.421 . . . . 54.42 111.355 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.525 ' O ' HG13 ' B' ' 69' ' ' VAL . 0.3 OUTLIER -96.5 137.76 35.1 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 116.064 -0.516 . . . . 75.13 110.698 179.819 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.499 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -159.49 163.01 35.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.295 -0.412 . . . . 75.53 111.205 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.67 ' O ' HD12 ' B' ' 14' ' ' LEU . 6.2 tp -59.27 150.88 24.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.836 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -65.34 104.15 0.91 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.307 -0.406 . . . . 73.03 110.858 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.404 ' O ' HD13 ' B' ' 15' ' ' LEU . 0.6 OUTLIER -149.95 155.93 40.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 62.53 110.848 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.445 ' CE1' ' HD3' ' B' ' 13' ' ' ARG . 16.9 p80 -87.81 -27.88 22.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 73.15 111.038 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.445 ' HD3' ' CE1' ' B' ' 12' ' ' HIS . 0.0 OUTLIER -86.24 -28.63 23.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.329 -0.396 . . . . 73.14 111.068 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.67 HD12 ' O ' ' B' ' 9' ' ' LEU . 14.2 mt -55.22 -38.29 68.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.262 -0.426 . . . . 70.11 110.95 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.561 ' HG ' HG21 ' B' ' 34' ' ' VAL . 8.4 mp -59.09 -52.25 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.319 179.572 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 29.9 t -60.07 -35.14 74.52 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.715 -0.675 . . . . 63.11 110.175 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -62.1 -45.15 94.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 73.14 110.436 179.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.601 HG23 ' O ' ' B' ' 14' ' ' LEU . 43.6 t -63.19 -50.72 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.936 -0.574 . . . . 75.1 110.508 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.27 -32.03 71.85 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.818 -0.628 . . . . 41.42 110.177 179.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -65.38 -47.88 74.82 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.935 -0.575 . . . . 75.32 110.533 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.72 -40.46 69.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.595 . . . . 70.35 110.476 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.43 HD13 HD11 ' B' ' 29' ' ' ILE . 52.1 mt -75.43 -30.32 60.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.741 -0.663 . . . . 75.11 110.318 179.284 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.19 72.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.014 -0.539 . . . . 75.2 111.044 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -50.3 -35.81 29.04 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.073 0.464 . . . . 74.53 110.577 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -104.26 -18.4 14.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.705 -0.68 . . . . 73.12 110.592 179.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.495 ' HA ' ' CE1' ' A' ' 12' ' ' HIS . 0.4 OUTLIER 69.63 41.4 1.24 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.152 -0.476 . . . . 75.5 111.071 179.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.457 ' N ' ' CE1' ' A' ' 12' ' ' HIS . 35.5 t -67.2 109.2 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.24 -0.436 . . . . 53.34 109.997 178.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -63.83 100.43 0.3 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.028 0.442 . . . . 74.34 111.147 -179.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' B' ' 46' ' ' PHE . 6.8 mt -87.44 128.66 39.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.701 -0.681 . . . . 75.34 109.906 179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.694 HD13 HD23 ' B' ' 1' ' ' LEU . 3.3 mt -74.45 -22.25 59.21 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.506 -0.315 . . . . 74.53 110.967 -179.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.456 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -146.08 133.13 20.31 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.343 -0.39 . . . . 64.02 110.92 179.439 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.498 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -133.59 121.57 22.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.955 -0.566 . . . . 74.31 110.094 179.673 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.419 ' O ' ' N ' ' B' ' 45' ' ' ARG . 54.5 p -155.91 129.49 8.38 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 120.661 -0.416 . . . . 63.14 111.942 -179.467 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.561 HG21 ' HG ' ' B' ' 15' ' ' LEU . 7.1 p -131.18 128.94 62.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.023 -0.535 . . . . 72.43 111.057 179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.935 HG22 ' CB ' ' A' ' 31' ' ' SER . 33.0 p -136.68 154.01 50.74 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.941 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.6 p -76.78 117.96 18.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 73.42 110.971 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.618 ' OG ' HD11 ' B' ' 43' ' ' ILE . 2.9 t -59.51 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.145 -0.48 . . . . 74.14 111.036 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.654 ' N ' HG23 ' B' ' 41' ' ' VAL . . . -179.47 -113.19 0.37 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.637 -0.792 . . . . 71.54 112.704 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.581 ' O ' HG22 ' B' ' 41' ' ' VAL . 16.2 m-20 -86.38 111.6 20.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.828 0.347 . . . . 74.2 111.062 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 16.9 mtm-85 50.53 36.74 14.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.105 -0.498 . . . . 65.54 111.231 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.654 HG23 ' N ' ' B' ' 38' ' ' GLY . 0.1 OUTLIER -137.44 124.66 29.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.971 -0.559 . . . . 72.23 111.179 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.99 144.21 49.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 44.34 110.977 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.618 HD11 ' OG ' ' B' ' 37' ' ' SER . 16.4 mt -130.11 135.57 60.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 116.325 -0.398 . . . . 62.24 111.515 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -112.71 154.18 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.084 -0.507 . . . . 61.43 110.338 179.56 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.548 ' HD3' HG21 ' B' ' 75' ' ' VAL . 9.0 mmm-85 -138.84 117.29 12.03 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-O 120.804 0.335 . . . . 75.41 110.568 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.612 ' HB3' HG21 ' B' ' 29' ' ' ILE . 62.4 m-85 -124.93 125.34 43.78 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-O 120.993 0.425 . . . . 74.55 111.375 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 96.8 m -113.86 115.14 27.25 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.865 -0.607 . . . . 74.41 109.878 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -133.93 171.47 14.14 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.03 0.443 . . . . 75.24 111.472 -179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.17 161.2 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.858 -0.61 . . . . 73.22 110.564 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.595 ' HG3' HD12 ' B' ' 56' ' ' LEU . 2.0 ttt -109.0 155.11 21.27 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.965 0.412 . . . . 70.1 111.367 -179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -157.92 -65.39 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.938 -0.649 . . . . 74.52 112.234 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -106.42 142.23 24.47 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.232 . . . . 63.05 110.789 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.28 -32.1 5.34 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.531 2.154 . . . . 52.15 112.383 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . 0.434 ' HG2' ' CD2' ' B' ' 58' ' ' HIS . 0.4 OUTLIER -65.38 -29.33 70.03 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.078 -0.51 . . . . 73.14 111.073 -179.852 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 3.0 m-70 -77.42 -44.25 29.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 74.11 110.772 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.623 ' O ' HD23 ' B' ' 56' ' ' LEU . 4.1 tt -73.16 -31.3 64.17 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.31 -0.405 . . . . 53.33 110.222 179.396 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.03 -41.89 26.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.781 -0.723 . . . . 72.44 111.946 179.435 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . 0.434 ' CD2' ' HG2' ' B' ' 54' ' ' LYS . 9.4 m-70 -77.49 -28.78 52.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.748 0.309 . . . . 73.3 110.898 179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.852 ' O ' HG23 ' B' ' 63' ' ' VAL . 11.9 mt -63.95 -50.34 69.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.948 0.404 . . . . 60.14 110.893 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 85.6 mt -58.92 -45.56 90.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.999 -0.546 . . . . 72.13 110.8 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -62.91 -38.77 92.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 52.41 110.709 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.23 -42.31 96.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 62.43 110.864 179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.852 HG23 ' O ' ' B' ' 59' ' ' LEU . 14.5 t -58.2 -30.8 40.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.999 -0.546 . . . . 53.41 110.908 179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -61.96 -27.1 68.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.099 -0.501 . . . . 74.12 110.942 179.71 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -86.03 8.3 21.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.266 -0.424 . . . . 73.03 111.586 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 63' ' ' VAL . 23.4 t -83.55 104.18 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.557 0 CA-C-O 120.845 0.355 . . . . 74.32 110.768 179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -54.6 120.25 6.43 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.041 -0.527 . . . . 70.54 110.813 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.07 -24.04 19.7 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.782 -0.723 . . . . 74.01 112.766 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.525 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.4 t -80.67 121.48 34.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-O 120.795 0.331 . . . . 75.03 111.078 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -70.23 -52.34 23.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.126 -0.488 . . . . 75.41 111.092 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -166.77 169.17 13.61 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.961 -0.563 . . . . 71.54 111.125 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.598 HG21 HG11 ' B' ' 63' ' ' VAL . 23.7 t -131.28 134.89 60.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 CA-C-N 116.214 -0.448 . . . . 72.14 111.061 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.4 131.23 36.04 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.428 -0.351 . . . . 71.41 111.254 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.3 117.23 11.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 73.22 110.727 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.548 HG21 ' HD3' ' B' ' 45' ' ' ARG . 18.7 t -85.85 139.32 17.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.369 -0.378 . . . . 70.32 111.21 -179.723 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.528 HG23 ' O ' ' B' ' 75' ' ' VAL . 12.8 p -160.0 -60.81 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 70.41 110.906 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m 61.32 170.9 0.11 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 64.34 110.907 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 60.01 89.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.211 -0.45 . . . . 72.03 111.11 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.255 -0.879 . . . . 72.31 111.083 179.975 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.637 ' O ' HD12 ' A' ' 1' ' ' LEU . 2.6 pp . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.856 0.36 . . . . 75.31 111.189 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.446 HG13 HG23 ' A' ' 76' ' ' THR . 23.1 t -82.24 149.21 4.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 64.2 111.295 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.807 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -121.47 169.54 10.54 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.832 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.807 HD13 ' O ' ' A' ' 3' ' ' ALA . 11.2 mm -139.38 132.03 36.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 116.333 -0.394 . . . . 71.33 111.473 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -103.41 104.75 14.88 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.369 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 16.4 t -102.7 112.76 37.23 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.468 0 CA-C-O 120.925 0.393 . . . . 64.13 111.536 -179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.36 127.21 38.87 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.0 -0.546 . . . . 72.24 110.362 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.542 ' HB2' ' HA ' ' A' ' 69' ' ' VAL . . . -159.34 167.91 27.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.778 0.323 . . . . 73.52 111.492 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.611 HD23 ' CA ' ' A' ' 68' ' ' GLY . 0.8 OUTLIER -54.36 152.67 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.139 -0.482 . . . . 53.54 110.999 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.565 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 10.2 t0 -64.59 81.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.278 -0.419 . . . . 71.14 111.292 -179.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.3 mtt180 -153.71 129.85 10.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 74.23 110.63 179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.665 ' NE2' HG22 ' B' ' 19' ' ' THR . 0.1 OUTLIER -60.99 -27.24 68.16 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.465 -0.334 . . . . 72.33 110.564 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -26.01 23.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.385 -0.371 . . . . 71.35 111.14 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.606 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.6 mm? -68.2 -61.74 1.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.99 0.424 . . . . 72.12 110.925 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.531 HD22 ' HB3' ' B' ' 32' ' ' ALA . 0.9 OUTLIER -58.76 -32.54 69.37 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.006 -0.543 . . . . 73.23 110.459 179.666 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.6 t -67.39 -43.93 80.14 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.958 -0.565 . . . . 64.41 110.276 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -63.07 -41.47 99.45 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.282 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 24.0 t -66.44 -38.13 81.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.84 -0.618 . . . . 63.45 110.806 179.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 27.2 m -66.05 -40.55 91.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.041 -0.527 . . . . 72.25 110.647 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -61.91 -38.87 90.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.954 -0.566 . . . . 73.3 110.795 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.52 -43.36 90.29 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.15 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 71.9 mt -65.27 -45.34 84.87 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.031 -0.531 . . . . 75.54 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.68 -32.59 73.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 73.12 111.07 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t0 -60.39 -31.27 70.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.092 -0.503 . . . . 72.31 110.952 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -103.82 22.45 14.47 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.167 -0.47 . . . . 72.53 111.043 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.5 tttp 56.68 30.02 16.78 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.452 -0.34 . . . . 53.02 111.139 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 27.1 t -80.25 101.74 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 63.02 111.092 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -64.8 122.17 16.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 63.02 110.965 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.667 HG21 ' HE1' ' A' ' 46' ' ' PHE . 22.3 mt -96.43 130.06 45.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 73.12 111.13 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 89.3 mt -81.01 -34.66 32.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 72.1 110.948 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.15 171.51 4.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 72.51 110.975 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.593 ' HB2' ' CE1' ' A' ' 46' ' ' PHE . . . -166.39 146.88 6.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 42.04 111.218 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.409 ' HG ' ' HB2' ' B' ' 33' ' ' SER . 1.5 m -163.68 140.24 6.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.287 -0.415 . . . . 71.53 110.865 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.74 HG12 ' CB ' ' A' ' 44' ' ' SER . 13.4 m -126.02 146.41 31.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.864 0.364 . . . . 74.4 111.472 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.64 154.1 50.74 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 116.147 -0.479 . . . . 73.22 110.857 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 62.9 p -79.98 109.17 14.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 71.24 110.975 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.458 ' HB2' HD11 ' A' ' 43' ' ' ILE . 1.1 t -58.3 -35.85 72.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.232 -0.44 . . . . 63.51 111.05 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.418 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 165.73 -93.54 0.11 Allowed Glycine 0 N--CA 1.452 -0.235 0 C-N-CA 120.517 -0.849 . . . . 40.34 112.887 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' O ' HG22 ' A' ' 41' ' ' VAL . 12.6 t70 -102.38 112.38 25.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.967 0.413 . . . . 74.35 111.452 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.25 36.62 4.79 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.009 -0.542 . . . . 74.31 111.56 179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 39' ' ' ASP . 2.2 m -137.56 121.86 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.074 -0.512 . . . . 74.23 111.047 179.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -121.19 120.17 34.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 74.01 111.158 -179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.458 HD11 ' HB2' ' A' ' 37' ' ' SER . 19.5 mt -93.02 119.66 41.1 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.106 -0.497 . . . . 70.43 111.185 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.74 ' CB ' HG12 ' A' ' 34' ' ' VAL . 1.4 m -103.83 141.63 35.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.788 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.402 ' O ' ' HA ' ' A' ' 32' ' ' ALA . 61.8 mtp180 -124.73 117.21 23.69 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 116.176 -0.465 . . . . 43.44 110.65 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.667 ' HE1' HG21 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -110.74 125.55 53.64 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.33 -0.395 . . . . 64.33 111.321 -179.652 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.5 m -112.49 115.27 28.4 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.073 -0.512 . . . . 74.21 110.567 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -150.93 171.05 17.88 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.357 -0.383 . . . . 74.22 111.238 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -88.81 165.78 14.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.063 -0.517 . . . . 64.54 110.809 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -149.9 148.33 28.99 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.258 -0.428 . . . . 73.44 111.017 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.53 -45.9 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.804 -0.713 . . . . 74.22 112.458 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -104.0 143.37 26.51 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.714 0.292 . . . . 72.15 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -76.33 -27.31 8.05 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.554 2.169 . . . . 73.44 112.384 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -65.91 -34.6 78.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 72.32 111.006 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.403 ' O ' HD12 ' A' ' 59' ' ' LEU . 25.0 m-70 -77.56 -44.27 29.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 71.35 110.774 -179.739 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.7 tp -73.55 -32.98 64.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.3 -0.409 . . . . 75.0 110.246 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.12 -39.68 31.57 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.759 -0.734 . . . . 74.1 111.878 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -76.76 -30.98 56.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.827 0.346 . . . . 71.33 110.75 179.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.9 ' O ' HG23 ' A' ' 63' ' ' VAL . 5.4 mt -61.35 -44.71 96.72 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.294 -0.412 . . . . 71.53 110.761 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 mt -59.91 -45.93 90.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.982 -0.554 . . . . 71.12 110.706 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -61.83 -42.13 98.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 75.44 110.65 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.07 -41.46 98.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.038 -0.528 . . . . 71.12 110.824 179.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 59' ' ' LEU . 25.7 t -57.85 -28.26 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.959 -0.564 . . . . 74.43 110.868 179.644 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.8 mtp85 -62.4 -29.42 70.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 71.05 110.8 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 34.1 m-20 -80.63 -0.66 39.0 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.255 -0.429 . . . . 74.2 111.426 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 63' ' ' VAL . 23.7 t -75.56 104.09 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.503 0 CA-C-O 120.835 0.35 . . . . 74.54 110.834 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -51.68 120.18 4.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.067 -0.515 . . . . 74.1 110.581 179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.611 ' CA ' HD23 ' A' ' 9' ' ' LEU . . . 110.28 -20.98 25.07 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.661 -0.781 . . . . 72.24 112.626 -179.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.542 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 60.3 t -86.88 126.27 40.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.874 0.368 . . . . 72.24 111.114 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -79.51 -48.17 14.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.102 -0.499 . . . . 63.24 111.314 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -166.68 166.48 15.93 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.062 -0.517 . . . . 73.2 111.111 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.604 HG21 ' CG1' ' A' ' 63' ' ' VAL . 29.1 t -131.55 134.78 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 116.137 -0.483 . . . . 73.25 111.254 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -135.47 122.56 21.46 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.3 -0.409 . . . . 63.23 110.981 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 117.49 8.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.287 -0.415 . . . . 75.24 110.852 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.695 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 20.8 t -85.92 117.32 30.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.181 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.446 HG23 HG13 ' A' ' 2' ' ' VAL . 0.2 OUTLIER -156.21 -75.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.18 -0.463 . . . . 75.33 110.885 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.9 p -88.19 113.26 23.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 74.21 110.868 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.19 -174.38 4.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 51.12 111.121 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.242 -0.885 . . . . 63.12 111.089 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.858 0.361 . . . . 74.32 111.219 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.401 ' CG1' ' CG ' ' B' ' 74' ' ' ARG . 32.6 t -82.18 143.22 12.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 71.32 111.175 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.426 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -106.38 159.73 15.92 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.141 -0.481 . . . . 72.13 110.835 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.623 HD12 ' CZ ' ' B' ' 48' ' ' PHE . 32.7 mt -146.67 132.06 12.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.084 -179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.583 ' O ' HG13 ' B' ' 72' ' ' VAL . 1.4 tt0 -104.54 135.46 45.92 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 116.094 -0.503 . . . . 65.12 110.855 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 t -118.47 112.84 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 116.238 -0.437 . . . . 54.42 111.08 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.642 ' O ' HG13 ' B' ' 69' ' ' VAL . 4.2 tt0 -94.19 136.73 34.16 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.183 -0.462 . . . . 75.13 110.903 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.617 ' O ' ' HB3' ' B' ' 42' ' ' ALA . . . -159.37 147.47 17.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.53 111.192 179.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.457 HD12 ' HB2' ' B' ' 11' ' ' ARG . 2.8 pp -58.98 140.96 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.32 111.011 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -60.11 102.54 0.17 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 73.03 110.986 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.457 ' HB2' HD12 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -153.39 161.37 42.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 62.53 110.836 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . 0.446 ' O ' ' CB ' ' B' ' 13' ' ' ARG . 18.8 p-80 -81.79 146.3 29.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.15 110.948 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' B' ' 12' ' ' HIS . 3.9 ttm-85 84.71 -20.29 0.3 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.967 -0.56 . . . . 73.14 111.73 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.74 HD21 ' O ' ' B' ' 67' ' ' GLU . 6.1 mt -63.83 -51.82 62.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.98 0.419 . . . . 70.11 110.795 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.728 HD22 HG21 ' B' ' 34' ' ' VAL . 43.9 mt -57.25 -51.68 68.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.979 -0.555 . . . . 73.21 110.548 179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.2 m -59.39 -34.77 72.84 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.79 -0.641 . . . . 63.11 110.445 179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.55 -45.69 89.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.03 -0.532 . . . . 73.14 110.425 179.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 14' ' ' LEU . 44.0 t -62.87 -48.09 89.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.641 179.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.665 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -62.66 -36.87 84.25 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.946 -0.57 . . . . 41.42 110.204 179.542 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.5 mtp180 -64.04 -43.89 94.18 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.923 -0.581 . . . . 75.32 110.672 179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.46 -41.01 75.81 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.929 -0.578 . . . . 70.35 110.643 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 56.5 mt -74.65 -31.73 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.75 -0.659 . . . . 75.11 110.544 179.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.403 ' HB2' ' HE1' ' A' ' 12' ' ' HIS . . . -71.88 -26.58 62.39 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.936 -0.575 . . . . 75.2 111.105 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -51.43 -28.23 12.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.292 -0.413 . . . . 74.53 111.13 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -120.86 18.56 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 73.12 111.214 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 4.6 mtpt 50.03 31.5 4.91 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 116.472 -0.331 . . . . 75.5 111.234 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 24.9 t -57.58 98.37 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 53.34 110.848 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -64.05 106.69 1.1 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 74.34 110.876 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.642 HD12 ' CD2' ' A' ' 12' ' ' HIS . 4.4 mt -94.85 129.44 45.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.922 -0.581 . . . . 75.34 110.55 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' B' ' 47' ' ' THR . 85.4 mt -74.71 -29.33 61.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.396 -0.366 . . . . 74.53 110.417 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -136.65 131.43 33.64 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.061 -0.518 . . . . 64.02 110.876 179.493 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.531 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -142.28 121.42 12.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 74.31 110.545 179.839 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.409 ' HB2' ' HG ' ' A' ' 33' ' ' SER . 90.8 p -163.58 141.34 7.52 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.903 0.382 . . . . 63.14 111.737 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.728 HG21 HD22 ' B' ' 15' ' ' LEU . 11.1 p -131.19 133.59 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 CA-C-N 115.969 -0.559 . . . . 72.43 110.969 179.507 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 1.5 t -136.58 150.92 48.84 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.23 -0.441 . . . . 74.23 110.931 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.19 128.92 37.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 73.42 110.855 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.508 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.7 OUTLIER -66.72 -67.42 0.45 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 74.14 110.823 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.61 -79.63 0.66 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.778 -0.725 . . . . 71.54 112.45 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.6 -66.63 0.56 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.794 0.33 . . . . 74.2 110.762 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 4.9 mmt85 -97.49 37.37 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 65.54 110.676 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 t -137.3 117.89 16.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.957 -0.565 . . . . 72.23 111.234 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.617 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -110.0 142.39 41.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 44.34 111.059 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.508 HD11 ' OG ' ' B' ' 37' ' ' SER . 25.0 mt -130.11 116.73 37.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 116.192 -0.458 . . . . 62.24 111.264 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.43 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 4.8 t -104.98 152.26 22.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 61.43 110.76 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.8 tpp85 -138.85 118.43 12.99 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 116.37 -0.377 . . . . 75.41 110.469 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.426 ' HA ' ' O ' ' B' ' 31' ' ' SER . 70.7 m-85 -126.71 125.3 41.57 Favored 'General case' 0 N--CA 1.447 -0.616 0 CA-C-O 120.963 0.411 . . . . 74.55 111.399 -179.591 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.453 ' O ' ' N ' ' B' ' 30' ' ' LEU . 23.4 m -112.34 115.26 28.46 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.94 -0.573 . . . . 74.41 110.006 179.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.623 ' CZ ' HD12 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -129.24 155.11 46.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.972 0.415 . . . . 75.24 111.27 -179.365 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -125.5 112.0 15.72 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.936 -0.575 . . . . 73.22 110.966 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 2.9 mtp -150.05 165.77 31.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 70.1 110.991 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -116.37 25.96 8.91 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.808 -0.71 . . . . 74.52 112.514 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -106.36 104.47 50.42 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.494 0.188 . . . . 63.05 110.871 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 42.5 Cg_endo -67.76 -34.51 24.36 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.461 2.107 . . . . 52.15 112.344 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.71 -33.31 75.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 73.14 110.883 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.45 -44.27 29.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.62 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 tt -67.58 -33.35 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 53.33 110.075 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.32 -42.37 28.32 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.701 -0.761 . . . . 72.44 111.799 179.365 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -72.39 -26.31 61.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.675 0.274 . . . . 73.3 110.878 179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.815 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.2 OUTLIER -59.56 -46.15 89.73 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.913 0.387 . . . . 60.14 110.975 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -49.6 76.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.029 -0.532 . . . . 72.13 110.798 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 9.4 t30 -60.59 -35.61 76.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 52.41 110.673 179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.14 -46.35 77.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 62.43 110.743 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.815 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.8 t -57.24 -31.14 36.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.89 -0.596 . . . . 53.41 110.939 179.77 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -61.92 -29.54 70.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 74.12 110.776 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -80.91 0.04 37.07 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.535 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.451 ' HB ' ' CG2' ' B' ' 69' ' ' VAL . 22.0 t -82.31 104.26 10.67 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.579 0 CA-C-O 120.917 0.389 . . . . 74.32 110.661 179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.74 ' O ' HD21 ' B' ' 14' ' ' LEU . 0.8 OUTLIER -54.16 120.04 5.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.029 -0.532 . . . . 70.54 110.899 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.08 19.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.701 -0.761 . . . . 74.01 112.906 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.642 HG13 ' O ' ' B' ' 7' ' ' GLU . 59.5 t -78.03 121.72 31.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 120.914 0.388 . . . . 75.03 110.962 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -70.6 -56.22 7.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.057 -0.519 . . . . 75.41 111.206 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -166.74 169.15 13.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.931 -0.577 . . . . 71.54 111.172 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.583 HG13 ' O ' ' B' ' 5' ' ' GLN . 16.4 t -127.03 141.26 46.75 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.359 0 CA-C-N 116.018 -0.537 . . . . 72.14 111.035 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -135.52 130.41 34.58 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.91 0.386 . . . . 71.41 111.507 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.401 ' CG ' ' CG1' ' B' ' 2' ' ' VAL . 0.1 OUTLIER -68.88 111.07 4.7 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 73.22 110.682 179.589 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.708 ' O ' HG23 ' B' ' 76' ' ' THR . 12.7 t -85.79 160.29 3.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.211 -0.449 . . . . 70.32 111.183 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.708 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.4 OUTLIER -175.58 -40.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.31 -0.404 . . . . 70.41 110.87 -179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 8.1 t -58.91 119.1 6.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 64.34 110.996 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.3 154.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.23 -0.441 . . . . 72.03 111.128 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.268 -0.873 . . . . 72.31 111.088 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.457 HD23 ' HG3' ' A' ' 49' ' ' GLU . 11.5 mt . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.79 0.329 . . . . 75.31 111.247 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.536 HG13 ' NE ' ' A' ' 74' ' ' ARG . 34.0 t -82.28 138.26 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.293 -0.412 . . . . 64.2 111.14 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.622 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -109.65 171.2 7.59 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 116.048 -0.524 . . . . 74.21 111.125 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.72 HD11 ' CE2' ' A' ' 48' ' ' PHE . 22.3 mt -139.92 138.99 37.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-N 116.327 -0.397 . . . . 71.33 111.429 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -110.86 106.8 16.07 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.084 -0.507 . . . . 71.15 110.593 179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.401 HG22 HG13 ' A' ' 72' ' ' VAL . 27.4 t -104.51 112.84 39.7 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.506 0 CA-C-N 116.293 -0.412 . . . . 64.13 111.28 -179.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -91.89 129.03 37.93 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.963 -0.562 . . . . 72.24 110.528 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.84 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.32 163.4 35.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.818 0.342 . . . . 73.52 111.338 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.55 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.6 tp -50.67 148.77 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 53.54 111.152 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.57 ' OD2' ' HB2' ' A' ' 42' ' ' ALA . 1.0 OUTLIER -65.5 82.26 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.175 -0.466 . . . . 71.14 111.196 -179.762 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.2 ttt180 -153.64 120.45 5.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 74.23 110.787 179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.942 ' CD2' HD12 ' B' ' 29' ' ' ILE . 27.7 t-80 -57.66 -26.3 61.44 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.429 -0.35 . . . . 72.33 110.742 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 ttt85 -57.54 -37.98 73.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.303 -0.408 . . . . 71.35 110.524 179.69 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.88 ' O ' HG23 ' A' ' 18' ' ' VAL . 82.6 mt -64.67 -40.36 95.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.931 -0.577 . . . . 72.12 110.616 179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 12' ' ' HIS . 3.8 mm? -61.62 -50.26 73.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 73.23 110.472 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.0 t -60.81 -40.36 92.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.807 -0.633 . . . . 64.41 110.442 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -62.34 -41.21 98.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.058 -0.519 . . . . 74.11 110.567 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 14' ' ' LEU . 38.3 t -68.44 -37.62 78.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 63.45 110.834 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.468 ' HA ' HD12 ' A' ' 22' ' ' LEU . 2.2 m -67.11 -37.11 83.35 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 72.25 110.52 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.4 tmm_? -62.12 -40.26 95.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 73.3 110.725 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.29 -39.58 94.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.974 -0.557 . . . . 74.43 110.879 179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.692 HD23 HD11 ' A' ' 59' ' ' LEU . 23.6 mt -65.59 -54.35 29.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.815 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.67 -30.4 71.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 73.12 111.067 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -59.5 -29.97 68.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.165 -0.471 . . . . 72.31 110.872 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -105.28 23.75 13.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.262 -0.426 . . . . 72.53 111.125 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? 59.45 47.91 10.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.906 0.384 . . . . 53.02 110.935 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 22' ' ' LEU . 30.0 t -102.79 114.66 43.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 63.02 111.022 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -88.65 119.32 29.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 63.02 110.899 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -96.34 126.15 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.12 111.106 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 93.4 mt -75.21 -31.1 60.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 72.1 110.987 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.753 ' OG ' HG22 ' B' ' 35' ' ' THR . 0.3 OUTLIER -171.27 166.72 7.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.354 -0.385 . . . . 72.51 111.083 179.823 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.493 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -168.07 149.26 5.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 42.04 111.105 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 16.9 t -163.61 135.28 4.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 71.53 110.973 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.46 HG23 ' C ' ' A' ' 43' ' ' ILE . 14.2 p -122.5 141.33 43.33 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.931 0.396 . . . . 74.4 111.499 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 1.8 m -136.57 132.44 35.17 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 116.02 -0.536 . . . . 73.22 110.818 179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 1.6 t -63.38 111.7 2.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 71.24 111.113 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.459 ' HB2' HD11 ' A' ' 43' ' ' ILE . 6.2 t -63.2 -76.19 0.07 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.322 -0.399 . . . . 63.51 110.827 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.75 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -105.67 -90.95 2.2 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.832 -0.699 . . . . 40.34 112.493 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -123.77 -72.18 0.69 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.793 0.33 . . . . 74.35 110.966 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptt-85 -97.71 32.94 2.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.023 0.439 . . . . 74.31 110.673 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.75 HG23 ' H ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -137.58 121.14 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.659 -0.701 . . . . 74.23 111.088 179.801 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.57 ' HB2' ' OD2' ' A' ' 10' ' ' ASP . . . -119.3 125.05 48.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 74.01 111.333 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.46 ' C ' HG23 ' A' ' 34' ' ' VAL . 8.7 mt -89.84 109.27 20.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.078 -0.51 . . . . 70.43 110.819 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 42.5 t -98.0 137.77 36.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.14 111.052 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 16.2 mtm180 -116.99 148.93 41.03 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 116.102 -0.499 . . . . 43.44 110.621 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.493 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 80.5 m-85 -147.08 125.42 12.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.9 0.381 . . . . 64.33 111.239 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 93.6 m -111.25 116.41 30.99 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-N 115.885 -0.598 . . . . 74.21 110.496 179.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.72 ' CE2' HD11 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -150.98 139.14 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.312 -0.404 . . . . 74.22 111.189 -179.867 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG3' HD23 ' A' ' 1' ' ' LEU . 26.3 mt-10 -88.88 125.23 34.84 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.154 -0.476 . . . . 64.54 110.929 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.432 ' HG3' ' CE1' ' A' ' 48' ' ' PHE . 6.9 mmm -149.86 165.43 32.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.32 -0.4 . . . . 73.44 111.012 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.73 -40.7 0.24 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.779 -0.724 . . . . 74.22 112.607 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -54.01 107.96 1.0 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-O 120.529 0.204 . . . . 72.15 111.137 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -69.04 -34.45 16.96 Favored 'Trans proline' 0 C--N 1.346 0.434 0 C-N-CA 122.464 2.11 . . . . 73.44 112.324 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mttt -64.38 -39.44 93.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.181 -0.463 . . . . 72.32 110.9 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 m-70 -77.52 -38.92 47.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.006 -0.543 . . . . 71.35 110.515 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.673 HD21 ' CZ ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -71.24 -35.12 71.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.105 -0.498 . . . . 75.0 110.083 179.164 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.14 -39.87 35.97 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.605 -0.807 . . . . 74.1 111.721 179.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -73.14 -31.19 64.13 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.827 0.346 . . . . 71.33 110.736 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 10.0 tt -61.77 -46.75 88.23 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.961 0.41 . . . . 71.53 110.893 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.24 -48.0 81.77 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.887 -0.597 . . . . 71.12 110.778 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 36.3 m120 -61.17 -40.67 94.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.231 -0.441 . . . . 75.44 110.646 179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.1 -41.27 98.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.08 -0.509 . . . . 71.12 110.788 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 15.4 t -57.02 -29.65 32.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 74.43 110.889 179.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.7 mtp180 -59.97 -31.13 69.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 71.05 110.695 179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -75.24 -6.98 52.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.2 111.325 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 63' ' ' VAL . 28.0 t -72.79 104.06 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.533 0 CA-C-O 120.875 0.369 . . . . 74.54 110.724 179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -50.58 119.71 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.07 -0.514 . . . . 74.1 110.67 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.728 -0.749 . . . . 72.24 112.529 -179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.523 HG22 ' HB2' ' A' ' 8' ' ' ALA . 62.1 t -85.37 124.97 40.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-O 120.789 0.328 . . . . 72.24 111.154 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -74.97 -54.68 6.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 63.24 111.218 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -166.7 169.06 13.82 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.539 . . . . 73.2 111.141 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.406 ' CG1' ' CG2' ' A' ' 4' ' ' ILE . 21.3 t -131.53 133.56 61.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 CA-C-N 116.144 -0.48 . . . . 73.25 111.311 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.5 138.93 43.59 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.357 -0.383 . . . . 63.23 111.145 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.536 ' NE ' HG13 ' A' ' 2' ' ' VAL . 0.0 OUTLIER -69.35 120.25 14.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 75.24 110.831 179.851 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.622 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 58.6 t -86.0 160.56 3.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.226 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.596 HG23 HG12 ' A' ' 75' ' ' VAL . 9.1 p 60.04 -175.02 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.93 -0.577 . . . . 75.33 110.956 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.3 m -174.14 -40.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 74.21 110.798 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -78.34 112.44 15.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 51.12 111.104 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.25 -0.881 . . . . 63.12 111.116 179.924 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.838 0.351 . . . . 74.32 111.19 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.672 HG11 ' HD3' ' B' ' 74' ' ' ARG . 40.9 t -128.08 134.13 65.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.272 -0.422 . . . . 71.32 111.216 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' B' ' 47' ' ' THR . . . -97.59 151.25 20.25 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.1 -0.5 . . . . 72.13 111.16 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.589 HD11 ' HE1' ' B' ' 48' ' ' PHE . 16.9 mt -136.03 132.03 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.193 -0.458 . . . . 75.25 111.217 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -105.08 104.75 14.54 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.142 -0.481 . . . . 65.12 110.517 179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.427 HG22 HG13 ' B' ' 72' ' ' VAL . 21.8 t -106.09 112.97 41.56 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.23 -0.441 . . . . 54.42 111.515 -179.57 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -100.04 144.71 28.76 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 116.075 -0.511 . . . . 75.13 110.628 179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.931 ' HB1' HD13 ' B' ' 14' ' ' LEU . . . -159.4 160.74 35.23 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 75.53 111.262 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.753 ' O ' HD12 ' B' ' 14' ' ' LEU . 19.9 tp -56.29 132.79 51.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 73.32 110.902 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -59.43 99.15 0.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 73.03 111.039 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -142.67 170.18 16.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 62.53 110.842 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.2 p80 -98.49 30.45 3.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 73.15 110.915 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -141.48 -43.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.43 . . . . 73.14 111.052 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.931 HD13 ' HB1' ' B' ' 8' ' ' ALA . 17.3 mt -50.72 -38.07 45.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 70.11 110.978 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.027 HD11 HG11 ' B' ' 34' ' ' VAL . 0.4 OUTLIER -60.15 -55.66 31.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.989 -0.551 . . . . 73.21 110.513 179.677 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 34.5 t -58.05 -31.87 67.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.78 -0.645 . . . . 63.11 110.485 179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . 0.47 ' OD1' HG13 ' B' ' 66' ' ' VAL . 1.9 t0 -66.04 -46.0 79.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.062 -0.517 . . . . 73.14 110.596 179.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.762 HG23 ' O ' ' B' ' 14' ' ' LEU . 11.8 t -64.24 -45.81 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.045 -0.525 . . . . 75.1 110.839 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.501 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.08 -37.23 80.99 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.899 -0.591 . . . . 41.42 110.132 179.43 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -70.6 -39.09 74.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.927 -0.579 . . . . 75.32 110.703 179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.24 -49.68 76.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 70.35 110.787 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.528 ' O ' HG23 ' B' ' 27' ' ' VAL . 7.2 mt -69.77 -36.49 75.8 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.778 -0.647 . . . . 75.11 110.549 179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.81 -26.44 65.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.045 -0.525 . . . . 75.2 111.137 179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 36.6 t0 -53.05 -36.0 60.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.33 -0.396 . . . . 74.53 110.953 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -105.51 19.67 20.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.11 -0.496 . . . . 73.12 110.886 179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.8 tttm 54.11 28.9 9.51 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.42 -0.354 . . . . 75.5 111.08 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.528 HG23 ' O ' ' B' ' 22' ' ' LEU . 36.4 t -57.76 90.58 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.313 -0.403 . . . . 53.34 110.592 179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -64.12 100.31 0.32 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.042 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.942 HD12 ' CD2' ' A' ' 12' ' ' HIS . 6.1 mt -90.84 130.06 40.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 115.856 -0.611 . . . . 75.34 110.337 179.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' B' ' 47' ' ' THR . 77.1 mt -74.65 -29.17 61.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.903 0.382 . . . . 74.53 110.281 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 1.2 m -133.04 131.34 40.53 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.99 -0.55 . . . . 64.02 110.804 179.383 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -138.18 121.42 16.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.108 -0.496 . . . . 74.31 110.144 179.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 60.2 p -160.13 134.16 7.29 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.939 0.4 . . . . 63.14 111.919 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 1.027 HG11 HD11 ' B' ' 15' ' ' LEU . 8.6 p -131.15 138.09 54.18 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 CA-C-N 116.024 -0.535 . . . . 72.43 111.066 179.364 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.753 HG22 ' OG ' ' A' ' 31' ' ' SER . 18.4 p -136.64 152.88 50.91 Favored 'General case' 0 N--CA 1.452 -0.352 0 CA-C-N 116.406 -0.361 . . . . 74.23 111.03 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.7 t -91.58 107.85 19.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 73.42 110.903 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.4 ' OG ' HD12 ' B' ' 43' ' ' ILE . 0.8 OUTLIER -89.53 146.4 24.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 74.14 110.874 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 63.59 -82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.736 -0.745 . . . . 71.54 112.386 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -166.74 -66.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.777 0.323 . . . . 74.2 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.7 mtm180 -96.8 38.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 65.54 110.777 179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 21.7 t -137.35 134.44 46.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 115.977 -0.556 . . . . 72.23 111.169 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -122.43 113.13 18.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 44.34 111.166 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.4 HD12 ' OG ' ' B' ' 37' ' ' SER . 26.7 mt -95.75 125.14 48.6 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.055 -0.52 . . . . 62.24 111.243 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -108.58 150.28 27.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.254 -0.43 . . . . 61.43 110.893 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 26.8 ttp180 -135.1 119.96 18.48 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.281 -0.418 . . . . 75.41 110.343 179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.425 ' HA ' ' O ' ' B' ' 31' ' ' SER . 61.5 m-85 -129.71 125.39 35.84 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.05 0.452 . . . . 74.55 111.616 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.447 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 88.4 m -116.07 119.64 36.51 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 115.791 -0.64 . . . . 74.41 110.092 179.354 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.589 ' HE1' HD11 ' B' ' 4' ' ' ILE . 2.5 p90 -138.23 147.33 43.62 Favored 'General case' 0 N--CA 1.452 -0.374 0 CA-C-O 120.973 0.416 . . . . 75.24 111.498 -179.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -91.19 111.91 23.59 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.92 -0.582 . . . . 73.22 110.776 179.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.01 150.24 31.51 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.381 -0.372 . . . . 70.1 111.192 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.49 -32.29 1.81 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.885 -0.674 . . . . 74.52 112.374 179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -60.03 110.67 3.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.481 0.181 . . . . 63.05 110.775 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -68.41 -27.31 33.91 Favored 'Trans proline' 0 C--N 1.345 0.39 0 C-N-CA 122.449 2.099 . . . . 52.15 112.344 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -63.02 -40.37 97.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.244 -0.435 . . . . 73.14 110.888 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 5.2 m80 -77.5 -34.91 53.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.08 -0.509 . . . . 74.11 110.628 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -74.11 -36.01 64.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.284 -0.416 . . . . 53.33 110.126 179.267 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.04 -38.17 36.01 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.753 -0.737 . . . . 72.44 111.816 179.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -30.41 52.01 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.78 0.324 . . . . 73.3 110.78 179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.777 ' O ' HG23 ' B' ' 63' ' ' VAL . 7.5 tt -66.63 -55.28 16.01 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.933 0.396 . . . . 60.14 110.868 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.59 -45.7 81.23 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.978 -0.555 . . . . 72.13 110.746 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -63.77 -38.78 92.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 52.41 110.65 179.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.46 -39.75 95.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.827 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.777 HG23 ' O ' ' B' ' 59' ' ' LEU . 23.1 t -57.83 -32.37 42.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 53.41 110.94 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -61.07 -26.99 68.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 74.12 110.892 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -73.91 -7.99 54.41 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.43 . . . . 73.03 111.388 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.611 HG23 ' O ' ' B' ' 63' ' ' VAL . 40.0 t -71.08 104.07 1.3 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-O 120.911 0.386 . . . . 74.32 110.583 179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.68 ' O ' HD21 ' B' ' 14' ' ' LEU . 62.7 tt0 -52.34 116.9 2.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.957 -0.565 . . . . 70.54 110.851 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.03 -19.6 27.39 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.811 -0.709 . . . . 74.01 112.742 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.471 HG12 ' O ' ' B' ' 66' ' ' VAL . 5.5 p -70.91 126.09 30.51 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-O 120.809 0.337 . . . . 75.03 111.124 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -68.2 -60.52 2.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.962 0.41 . . . . 75.41 110.836 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -167.21 169.1 12.9 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.827 -0.624 . . . . 71.54 111.069 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.449 HG21 ' HB ' ' B' ' 63' ' ' VAL . 33.1 t -131.38 126.42 58.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 CA-C-N 116.115 -0.493 . . . . 72.14 111.003 179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.32 131.93 37.06 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.894 0.378 . . . . 71.41 111.25 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.672 ' HD3' HG11 ' B' ' 2' ' ' VAL . 8.2 mtm180 -69.83 119.48 14.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.491 . . . . 73.22 110.747 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.7 ' O ' HG23 ' B' ' 76' ' ' THR . 14.5 t -85.76 147.6 5.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.343 -0.389 . . . . 70.32 111.231 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.7 HG23 ' O ' ' B' ' 75' ' ' VAL . 0.2 OUTLIER -178.01 102.72 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 70.41 110.814 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.6 m -158.79 127.15 5.24 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 64.34 110.904 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.96 83.65 5.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 72.03 111.072 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.217 -0.896 . . . . 72.31 111.098 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.5 mt . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.865 0.364 . . . . 75.31 111.179 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -128.03 139.82 50.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.188 -0.46 . . . . 64.2 111.293 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.59 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -105.79 161.47 14.39 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 116.068 -0.515 . . . . 74.21 110.976 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.655 HD11 ' CE2' ' A' ' 48' ' ' PHE . 21.0 mt -135.32 131.96 52.1 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.328 -0.396 . . . . 71.33 111.407 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.526 ' NE2' HG21 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -104.84 105.26 15.25 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.26 -0.427 . . . . 71.15 110.495 179.64 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 26.6 t -104.11 112.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.435 0 CA-C-N 116.279 -0.419 . . . . 64.13 111.486 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -93.1 128.02 38.87 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.083 -0.508 . . . . 72.24 110.439 179.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.671 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -158.02 168.09 28.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.891 0.377 . . . . 73.52 111.401 -179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 50.7 mt -53.43 144.54 16.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.058 -0.519 . . . . 53.54 110.947 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.471 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 21.9 t70 -63.55 81.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 71.14 111.085 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -153.49 142.07 20.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 74.23 110.884 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.855 ' CD2' HD12 ' B' ' 29' ' ' ILE . 19.5 t-80 -72.17 -10.56 59.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 72.33 111.253 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.3 mmm-85 -69.06 -37.96 78.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.834 0.35 . . . . 71.35 110.827 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.8 mm? -63.28 -44.94 93.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.055 -0.521 . . . . 72.12 110.856 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.521 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.4 mm? -61.68 -42.77 99.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.901 -0.59 . . . . 73.23 110.805 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.532 ' HA ' HG21 ' B' ' 19' ' ' THR . 68.9 p -64.24 -42.48 96.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.913 -0.585 . . . . 64.41 110.465 179.693 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -62.83 -41.43 99.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.055 -0.521 . . . . 74.11 110.696 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 14' ' ' LEU . 34.8 t -68.13 -37.42 78.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.075 -0.512 . . . . 63.45 110.829 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 48.9 m -67.28 -37.91 84.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.002 -0.544 . . . . 72.25 110.544 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.0 ttt180 -61.04 -39.55 90.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.025 -0.534 . . . . 73.3 110.713 179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.06 -41.05 95.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.066 -0.515 . . . . 74.43 110.947 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.677 HD13 HG12 ' A' ' 29' ' ' ILE . 86.7 mt -65.4 -45.37 84.22 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.986 -0.552 . . . . 75.54 110.861 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.08 -32.71 73.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.021 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -59.94 -33.48 71.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 72.31 111.004 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.518 ' HB3' HG23 ' A' ' 27' ' ' VAL . 8.8 tt0 -104.76 22.06 15.79 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.251 -0.431 . . . . 72.53 111.197 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mptt 54.47 30.17 12.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.396 -0.366 . . . . 53.02 111.16 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.518 HG23 ' HB3' ' A' ' 25' ' ' GLU . 22.4 t -73.78 110.84 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 63.02 111.066 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -74.69 113.89 12.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 63.02 110.892 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.677 HG12 HD13 ' A' ' 22' ' ' LEU . 3.5 mp -96.31 123.89 48.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.446 . . . . 73.12 111.095 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 30' ' ' LEU . 21.3 mt -75.08 -35.65 61.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 72.1 110.91 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.779 ' HB3' HG23 ' B' ' 35' ' ' THR . 0.3 OUTLIER -173.11 170.82 4.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 72.51 111.014 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -167.97 150.19 5.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 42.04 111.273 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.7 t -163.61 139.22 6.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.225 -0.443 . . . . 71.53 110.731 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.504 HG23 ' C ' ' A' ' 43' ' ' ILE . 9.6 p -130.91 144.76 36.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-O 120.966 0.412 . . . . 74.4 111.416 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.512 ' O ' HD12 ' A' ' 43' ' ' ILE . 33.6 p -134.46 148.27 50.55 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-N 115.996 -0.547 . . . . 73.22 110.836 179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 3.4 t -73.65 108.14 6.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.284 -0.416 . . . . 71.24 111.121 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.516 ' HB2' HD11 ' A' ' 43' ' ' ILE . 5.7 t -59.34 -32.81 70.44 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.233 -0.44 . . . . 63.51 110.902 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.732 ' N ' HG23 ' A' ' 41' ' ' VAL . . . 174.4 -109.78 0.31 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 40.34 112.673 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -94.32 113.61 25.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 74.35 111.07 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.42 35.4 17.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.31 111.082 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.732 HG23 ' N ' ' A' ' 38' ' ' GLY . 2.8 m -137.42 130.36 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.099 179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.471 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -139.17 118.97 13.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.376 -0.375 . . . . 74.01 111.263 -179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.526 HG21 ' NE2' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -89.97 114.31 27.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.49 . . . . 70.43 110.922 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 18.2 t -97.89 139.82 33.17 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.939 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -126.11 117.53 23.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.132 -0.486 . . . . 43.44 110.575 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -109.08 151.81 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.253 -0.43 . . . . 64.33 111.162 -179.618 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 67.7 m -133.73 118.75 18.46 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 115.959 -0.564 . . . . 74.21 110.526 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.655 ' CE2' HD11 ' A' ' 4' ' ' ILE . 1.2 p90 -150.65 153.69 36.11 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 116.282 -0.417 . . . . 74.22 111.089 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.4 tt0 -110.57 111.87 23.4 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.165 -0.47 . . . . 64.54 110.902 179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.462 ' CE ' HG13 ' A' ' 27' ' ' VAL . 2.1 ttp -150.03 146.99 27.3 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.191 -0.459 . . . . 73.44 110.759 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -120.29 29.58 5.9 Favored Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.769 -0.729 . . . . 74.22 112.567 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -106.46 100.23 28.89 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 120.558 0.218 . . . . 72.15 110.923 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.76 -42.95 63.83 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.442 2.095 . . . . 73.44 112.34 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.58 -31.91 73.21 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 72.32 110.943 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -77.49 -43.92 30.54 Favored 'General case' 0 N--CA 1.454 -0.269 0 CA-C-N 116.147 -0.479 . . . . 71.35 110.635 -179.811 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -73.46 -32.7 64.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.305 -0.407 . . . . 75.0 110.093 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.98 -42.5 37.12 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.726 -0.75 . . . . 74.1 111.808 179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 1.2 m80 -73.88 -33.7 64.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.848 0.356 . . . . 71.33 110.684 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.912 ' O ' HG23 ' A' ' 63' ' ' VAL . 8.1 tp -61.62 -44.83 96.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 71.53 110.759 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.46 -47.32 85.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.915 -0.584 . . . . 71.12 110.803 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -62.17 -39.38 92.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 75.44 110.695 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.48 98.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.106 -0.497 . . . . 71.12 110.742 179.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.912 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -56.88 -33.46 41.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.931 -0.577 . . . . 74.43 111.103 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 30.0 mtt180 -60.21 -28.48 68.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.327 -0.397 . . . . 71.05 110.768 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 11.4 m-20 -80.23 -2.07 43.34 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.38 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.4 t -77.74 104.14 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 CA-C-O 120.834 0.35 . . . . 74.54 110.696 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.605 ' O ' HD11 ' A' ' 14' ' ' LEU . 11.7 mt-10 -52.69 120.27 5.51 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.093 -0.503 . . . . 74.1 110.691 179.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.49 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.13 -21.37 24.79 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.713 -0.756 . . . . 72.24 112.68 -179.635 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.553 HG22 ' HB2' ' A' ' 8' ' ' ALA . 58.4 t -86.07 123.99 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-O 120.81 0.338 . . . . 72.24 111.03 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.52 -52.46 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 63.24 111.279 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -166.75 169.17 13.64 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.149 -0.478 . . . . 73.2 111.215 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.563 HG21 HG11 ' A' ' 63' ' ' VAL . 21.7 t -128.64 136.3 60.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 116.196 -0.456 . . . . 73.25 111.262 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -135.51 121.97 20.6 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.426 -0.352 . . . . 63.23 111.273 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.47 116.57 6.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.258 -0.428 . . . . 75.24 110.804 179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.59 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 24.1 t -85.84 131.41 34.5 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.275 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 29.0 p -143.98 -178.42 5.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 75.33 110.947 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 17.3 m -141.98 120.0 12.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.914 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.14 96.77 3.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.208 -0.451 . . . . 51.12 111.08 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.225 -0.893 . . . . 63.12 111.063 179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.797 HD12 ' CD1' ' B' ' 30' ' ' LEU . 2.5 tp . . . . . 0 N--CA 1.485 1.321 0 CA-C-O 120.85 0.357 . . . . 74.32 111.167 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 t -82.19 141.84 14.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 71.32 111.188 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.446 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -103.58 154.57 19.35 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.147 -0.479 . . . . 72.13 111.07 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 22.4 mt -132.38 132.03 60.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-N 116.206 -0.452 . . . . 75.25 111.555 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.603 ' HG3' HG21 ' B' ' 75' ' ' VAL . 4.2 mt-30 -109.23 108.12 18.62 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-N 115.966 -0.561 . . . . 65.12 110.393 179.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 22.5 t -102.5 112.86 37.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-O 120.86 0.362 . . . . 54.42 111.711 -179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.72 ' CG ' HD12 ' B' ' 43' ' ' ILE . 10.0 mt-10 -97.15 132.54 42.82 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.13 110.681 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' B' ' 69' ' ' VAL . . . -154.17 169.91 22.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 75.53 111.383 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.517 ' O ' HD13 ' B' ' 14' ' ' LEU . 27.8 tp -57.31 150.98 16.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.033 -0.53 . . . . 73.32 111.013 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -71.04 76.73 0.66 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.03 111.008 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.558 ' CB ' HD12 ' B' ' 14' ' ' LEU . 24.4 ttp85 -125.15 139.03 54.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 62.53 110.88 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 18.4 p80 -64.79 -44.69 89.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 73.15 111.054 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.3 -30.91 71.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.229 -0.441 . . . . 73.14 111.055 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.707 ' O ' HG23 ' B' ' 18' ' ' VAL . 2.0 mt -56.36 -37.81 70.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 70.11 110.901 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.757 HD22 HG11 ' B' ' 34' ' ' VAL . 39.7 mt -59.76 -55.4 34.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 73.21 110.347 179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 m -58.83 -33.21 70.15 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.799 -0.637 . . . . 63.11 110.335 179.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -63.67 -44.94 92.3 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.931 -0.577 . . . . 73.14 110.376 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.707 HG23 ' O ' ' B' ' 14' ' ' LEU . 22.2 t -66.97 -39.22 82.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.891 -0.595 . . . . 75.1 110.746 179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.592 HG22 ' NE2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -70.45 -38.72 74.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.844 -0.616 . . . . 41.42 110.457 179.529 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 11.0 ttt85 -70.58 -36.99 73.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.85 -0.614 . . . . 75.32 110.826 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.38 -54.63 43.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 70.35 110.799 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.511 ' O ' HG23 ' B' ' 27' ' ' VAL . 64.0 mt -69.52 -33.23 72.51 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.812 -0.631 . . . . 75.11 110.543 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.47 -24.5 62.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.108 -0.496 . . . . 75.2 111.097 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -51.25 -35.44 37.16 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.923 0.392 . . . . 74.53 110.923 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -107.56 21.13 17.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.055 -0.52 . . . . 73.12 110.841 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 53.93 29.5 10.06 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-N 116.334 -0.394 . . . . 75.5 110.999 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.511 HG23 ' O ' ' B' ' 22' ' ' LEU . 35.5 t -59.32 89.96 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.314 -0.403 . . . . 53.34 110.674 179.704 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.2 m-20 -63.97 100.33 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.092 0.472 . . . . 74.34 110.698 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.855 HD12 ' CD2' ' A' ' 12' ' ' HIS . 7.5 mt -85.92 134.11 28.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.814 -0.63 . . . . 75.34 110.322 179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.797 ' CD1' HD12 ' B' ' 1' ' ' LEU . 7.4 mt -74.33 -26.55 60.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.365 . . . . 74.53 110.852 -179.682 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.446 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.9 OUTLIER -143.4 133.87 24.82 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.21 -0.45 . . . . 64.02 110.793 179.56 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.521 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -132.79 121.63 23.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.087 -0.506 . . . . 74.31 110.413 179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.42 ' O ' ' N ' ' B' ' 45' ' ' ARG . 0.9 OUTLIER -155.31 130.79 9.73 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 120.805 -0.358 . . . . 63.14 111.694 -179.476 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.757 HG11 HD22 ' B' ' 15' ' ' LEU . 10.1 p -131.12 120.42 46.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.18 -0.464 . . . . 72.43 111.137 179.501 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.779 HG23 ' HB3' ' A' ' 31' ' ' SER . 33.5 m -136.66 154.09 50.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.149 -0.478 . . . . 74.23 111.031 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 34.3 p -59.09 129.96 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.139 -0.482 . . . . 73.42 110.867 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.08 -44.61 38.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 74.14 110.796 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.533 ' H ' HG23 ' B' ' 41' ' ' VAL . . . -138.69 -76.75 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.898 -0.668 . . . . 71.54 112.407 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -136.93 -72.85 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.729 0.3 . . . . 74.2 110.815 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.1 34.25 1.98 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.062 0.458 . . . . 65.54 110.374 179.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.533 HG23 ' H ' ' B' ' 38' ' ' GLY . 5.7 m -137.33 139.76 43.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.731 -0.668 . . . . 72.23 111.317 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.96 120.7 33.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 44.34 111.002 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.72 HD12 ' CG ' ' B' ' 7' ' ' GLU . 17.8 tt -106.47 132.83 52.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.249 -0.432 . . . . 62.24 111.339 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.412 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 50.6 m -103.36 155.05 18.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.932 -0.576 . . . . 61.43 110.528 179.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.2 OUTLIER -137.86 117.26 12.82 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 116.309 -0.405 . . . . 75.41 110.189 179.68 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.679 ' HB3' HG21 ' B' ' 29' ' ' ILE . 89.8 m-85 -125.34 125.22 43.13 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-O 121.048 0.452 . . . . 74.55 111.633 -179.265 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' B' ' 3' ' ' ALA . 60.9 m -111.2 114.93 28.52 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.84 -0.618 . . . . 74.41 109.537 178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.54 ' HB3' HG23 ' B' ' 29' ' ' ILE . 1.9 p90 -143.34 160.82 39.81 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.116 0.484 . . . . 75.24 111.825 -178.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 24.0 tt0 -88.94 146.46 24.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 73.22 110.61 179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . 0.449 ' CG ' ' CE1' ' B' ' 48' ' ' PHE . 0.8 OUTLIER -149.96 137.9 20.23 Favored 'General case' 0 N--CA 1.452 -0.327 0 CA-C-O 120.878 0.371 . . . . 70.1 111.197 179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -115.06 -24.69 4.13 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.813 -0.708 . . . . 74.52 112.534 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 t0 -106.13 101.43 34.27 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 120.622 0.249 . . . . 63.05 110.862 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -50.94 -24.49 13.96 Favored 'Trans proline' 0 C--N 1.346 0.43 0 C-N-CA 122.465 2.11 . . . . 52.15 112.511 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -59.76 -40.1 87.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.328 -0.396 . . . . 73.14 111.117 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 62.5 m-70 -77.29 -42.77 35.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 74.11 110.691 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.438 HD12 ' HZ ' ' B' ' 48' ' ' PHE . 3.0 tp -67.12 -31.9 72.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.949 0.404 . . . . 53.33 110.032 179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -45.01 21.54 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.806 -0.711 . . . . 72.44 111.803 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -70.3 -26.58 63.86 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.719 0.295 . . . . 73.3 110.833 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.886 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.2 OUTLIER -62.73 -46.2 89.19 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.934 0.397 . . . . 60.14 110.965 -179.911 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -59.39 -51.22 70.85 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.011 -0.54 . . . . 72.13 110.83 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -61.12 -36.14 78.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 52.41 110.602 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.49 -42.2 96.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.137 -0.483 . . . . 62.43 110.728 179.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.886 HG23 ' O ' ' B' ' 59' ' ' LEU . 19.5 t -56.37 -30.87 31.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.992 -0.549 . . . . 53.41 110.964 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.8 mtt180 -60.18 -31.51 70.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.12 110.718 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -76.52 -7.18 54.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 73.03 111.344 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.457 HG23 ' HA ' ' B' ' 63' ' ' VAL . 21.9 t -75.9 104.2 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.525 0 CA-C-O 120.886 0.374 . . . . 74.32 110.71 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.29 120.15 4.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.068 -0.515 . . . . 70.54 110.895 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.08 -23.96 19.87 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.786 -0.721 . . . . 74.01 112.668 -179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.63 HG11 HG12 ' B' ' 63' ' ' VAL . 96.8 t -79.65 113.93 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.847 0.356 . . . . 75.03 110.964 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 53.9 m-85 -70.78 -49.98 40.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 75.41 111.068 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -166.88 169.01 13.56 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.996 -0.547 . . . . 71.54 111.032 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.501 HG21 HG11 ' B' ' 63' ' ' VAL . 21.9 t -131.47 145.48 35.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.047 -0.524 . . . . 72.14 111.183 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -135.33 125.86 26.87 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 116.255 -0.43 . . . . 71.41 111.051 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 10.4 mtm180 -68.43 109.23 3.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.851 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.603 HG21 ' HG3' ' B' ' 5' ' ' GLN . 18.8 t -85.98 160.16 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 70.32 111.11 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.481 ' N ' HG12 ' B' ' 75' ' ' VAL . 0.1 OUTLIER 171.06 -34.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.352 -0.385 . . . . 70.41 110.791 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 12.8 m -55.99 168.04 0.53 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 64.34 111.044 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 61.53 99.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 72.03 111.051 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.169 -0.92 . . . . 72.31 111.125 179.934 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.872 0.368 . . . . 75.31 111.168 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.677 HG11 ' HD2' ' A' ' 74' ' ' ARG . 20.0 t -82.23 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.109 -0.496 . . . . 64.2 111.206 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.846 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -106.5 159.81 15.89 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.176 -0.465 . . . . 74.21 111.003 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.846 HD13 ' O ' ' A' ' 3' ' ' ALA . 21.8 mm -133.34 132.08 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.295 -0.411 . . . . 71.33 111.389 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -106.29 104.7 14.46 Favored 'General case' 0 N--CA 1.451 -0.382 0 CA-C-N 116.054 -0.521 . . . . 71.15 110.605 179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.538 HG13 HG22 ' A' ' 72' ' ' VAL . 13.0 t -105.45 112.74 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.429 0 CA-C-N 116.248 -0.433 . . . . 64.13 111.319 -179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.602 ' CG ' HG23 ' A' ' 43' ' ' ILE . 12.5 mt-10 -90.67 134.03 34.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.099 -0.5 . . . . 72.24 110.719 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.887 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.4 164.98 34.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.859 0.362 . . . . 73.52 111.254 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.808 ' O ' HD12 ' A' ' 14' ' ' LEU . 2.6 mm? -54.78 149.41 11.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 53.54 110.962 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -65.69 77.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 71.14 111.146 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.53 128.9 9.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 74.23 110.812 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.488 ' CD2' HG22 ' B' ' 19' ' ' THR . 1.5 t-80 -58.98 -28.38 66.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.353 -0.385 . . . . 72.33 110.714 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.98 -38.14 67.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.324 -0.398 . . . . 71.35 110.812 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.887 HD13 ' HB1' ' A' ' 8' ' ' ALA . 54.2 mt -67.57 -47.38 69.95 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.97 -0.559 . . . . 72.12 110.783 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD22 ' N ' ' A' ' 15' ' ' LEU . 3.5 mm? -61.43 -44.82 96.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.886 -0.597 . . . . 73.23 110.557 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 19.3 p -62.92 -41.72 99.56 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.86 -0.609 . . . . 64.41 110.404 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.32 -42.77 99.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.054 -0.521 . . . . 74.11 110.423 179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.788 HG23 ' O ' ' A' ' 14' ' ' LEU . 33.6 t -67.51 -35.95 74.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.947 -0.569 . . . . 63.45 110.679 179.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.543 ' HA ' HD12 ' A' ' 22' ' ' LEU . 25.0 m -66.35 -39.2 89.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.991 -0.55 . . . . 72.25 110.463 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.3 ttt180 -61.0 -43.85 98.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.009 -0.541 . . . . 73.3 110.536 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.97 -37.55 82.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.967 -0.56 . . . . 74.43 110.716 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.772 ' O ' HG22 ' A' ' 27' ' ' VAL . 37.0 mt -65.99 -53.87 33.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.942 -0.572 . . . . 75.54 110.631 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -56.59 -38.54 72.16 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.143 -0.48 . . . . 73.12 110.999 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -64.81 -31.19 72.3 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.013 -0.539 . . . . 72.31 110.817 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -87.71 -0.45 56.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 72.53 111.41 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 64.18 45.2 4.11 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.912 0.387 . . . . 53.02 111.031 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.772 HG22 ' O ' ' A' ' 22' ' ' LEU . 4.8 m -109.31 99.89 9.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 63.02 111.063 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 22.4 m-20 -64.11 121.28 13.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 63.02 111.031 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.3 129.43 46.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.054 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.97 -33.0 59.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 72.1 110.887 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.6 t -170.35 171.52 6.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 72.51 111.068 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -164.55 145.12 7.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 42.04 111.165 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.4 m -163.61 133.93 4.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.146 -0.479 . . . . 71.53 110.989 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.828 HG23 ' C ' ' A' ' 43' ' ' ILE . 15.0 p -128.04 140.82 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 CA-C-O 120.927 0.394 . . . . 74.4 111.531 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 38.9 p -127.99 154.08 46.01 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.024 -0.535 . . . . 73.22 110.915 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.4 p -75.9 127.8 33.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 71.24 111.055 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.492 ' HB2' HD11 ' A' ' 43' ' ' ILE . 40.7 t -109.55 76.65 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 63.51 110.836 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 113.61 -81.77 0.3 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 40.34 112.378 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -159.22 -68.46 0.08 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.767 0.318 . . . . 74.35 110.86 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.666 ' O ' HD13 ' A' ' 9' ' ' LEU . 45.8 mtt-85 -97.95 35.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.02 0.438 . . . . 74.31 110.683 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.44 143.33 34.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.788 -0.642 . . . . 74.23 111.126 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.32 127.36 22.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 74.01 111.241 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.828 ' C ' HG23 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -103.61 107.9 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 70.43 110.643 179.758 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.636 ' N ' HG23 ' A' ' 34' ' ' VAL . 1.9 p -98.3 131.41 44.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 73.14 111.158 -179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.84 117.11 29.28 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 116.02 -0.536 . . . . 43.44 110.538 179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -109.13 125.59 52.33 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.959 0.409 . . . . 64.33 111.266 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -105.36 115.39 30.18 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.016 -0.538 . . . . 74.21 110.661 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -150.94 142.4 23.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.939 0.399 . . . . 74.22 111.184 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -88.82 127.41 35.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 64.54 110.859 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.0 165.86 31.41 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.336 -0.393 . . . . 73.44 111.012 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -133.65 -43.36 0.14 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.74 -0.743 . . . . 74.22 112.471 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -56.68 109.05 1.44 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.511 0.196 . . . . 72.15 111.019 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -69.75 -31.52 20.41 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.379 2.053 . . . . 73.44 112.412 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -40.82 92.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.209 -0.451 . . . . 72.32 110.787 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -77.58 -44.42 28.48 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.968 -0.56 . . . . 71.35 110.479 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 56' ' ' LEU . 5.8 tt -68.47 -33.72 74.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.304 -0.407 . . . . 75.0 109.997 179.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.77 -42.56 38.4 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.789 -0.72 . . . . 74.1 111.596 179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -68.36 -33.27 73.97 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.762 0.315 . . . . 71.33 110.636 179.472 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.895 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.7 OUTLIER -60.51 -43.86 96.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.295 -0.411 . . . . 71.53 110.799 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.5 mt -58.23 -49.45 77.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.976 -0.556 . . . . 71.12 110.821 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.0 -40.66 94.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.628 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.73 -39.89 93.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.995 -0.548 . . . . 71.12 110.705 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.895 HG23 ' O ' ' A' ' 59' ' ' LEU . 23.2 t -56.89 -30.94 34.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.988 -0.551 . . . . 74.43 110.96 179.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -60.11 -30.13 69.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 71.05 110.799 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 26.8 m-20 -76.16 -5.94 48.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 74.2 111.419 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 63' ' ' VAL . 26.3 t -74.66 104.2 3.02 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-O 120.879 0.371 . . . . 74.54 110.667 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -51.16 119.82 4.38 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.544 . . . . 74.1 110.753 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.17 -23.38 21.06 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.689 -0.767 . . . . 72.24 112.542 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.537 HG22 ' HB2' ' A' ' 8' ' ' ALA . 55.4 t -84.21 126.43 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 CA-C-O 120.825 0.345 . . . . 72.24 111.141 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -73.43 -57.84 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 63.24 111.276 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -166.72 169.16 13.71 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.053 -0.522 . . . . 73.2 111.069 -179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.538 HG22 HG13 ' A' ' 6' ' ' VAL . 21.8 t -124.67 136.1 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 CA-C-N 116.103 -0.499 . . . . 73.25 111.276 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.44 133.48 38.64 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.905 0.383 . . . . 63.23 111.201 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.677 ' HD2' HG11 ' A' ' 2' ' ' VAL . 20.0 ttp180 -71.3 117.17 12.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 75.24 110.786 179.68 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.656 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.1 t -85.97 129.1 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.25 -0.432 . . . . 75.21 111.329 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.1 p -147.01 165.16 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.33 110.865 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.4 m -69.58 116.88 10.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.21 110.947 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.78 167.78 29.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 51.12 111.109 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.258 -0.877 . . . . 63.12 111.12 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.861 0.362 . . . . 74.32 111.184 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -82.31 143.4 12.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 71.32 111.12 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.466 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -107.58 169.52 8.54 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.213 -0.449 . . . . 72.13 111.143 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 24.6 mt -145.67 132.0 14.17 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.949 0.404 . . . . 75.25 111.398 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -104.53 108.76 20.36 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 116.019 -0.537 . . . . 65.12 110.527 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.6 112.99 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.36 -0.382 . . . . 54.42 111.593 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.602 ' O ' HG13 ' B' ' 69' ' ' VAL . 1.6 tp10 -96.65 128.31 43.47 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.084 -0.507 . . . . 75.13 110.745 179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.653 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -156.77 151.28 25.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 75.53 111.056 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.418 HD12 ' O ' ' B' ' 40' ' ' ARG . 11.7 tp -52.78 146.47 10.45 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.268 -0.424 . . . . 73.32 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.416 ' OD2' HG22 ' B' ' 36' ' ' THR . 0.3 OUTLIER -71.29 95.36 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.099 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.2 ttm180 -125.51 -172.57 2.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 62.53 110.84 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -103.55 -31.36 9.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.317 -0.401 . . . . 73.15 110.976 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmt180 -96.68 -24.41 15.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 73.14 111.082 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.576 HD21 ' O ' ' B' ' 67' ' ' GLU . 2.8 mt -55.55 -42.98 75.39 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.336 -0.393 . . . . 70.11 111.064 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 1.038 HD21 HG11 ' B' ' 34' ' ' VAL . 0.4 OUTLIER -59.87 -56.4 22.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.047 -0.524 . . . . 73.21 110.329 179.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 56.9 p -59.43 -29.27 67.65 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.788 -0.642 . . . . 63.11 110.292 179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.92 -47.31 78.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.925 -0.579 . . . . 73.14 110.328 179.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.498 HG23 ' O ' ' B' ' 14' ' ' LEU . 46.3 t -65.01 -44.53 95.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.984 -0.553 . . . . 75.1 110.451 179.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.488 HG22 ' CD2' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -66.51 -38.63 87.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.819 -0.628 . . . . 41.42 110.143 179.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -66.17 -41.71 89.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.878 -0.601 . . . . 75.32 110.607 179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.12 -42.52 77.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.037 -0.529 . . . . 70.35 110.64 179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.505 HD22 HD11 ' B' ' 59' ' ' LEU . 34.8 mt -76.69 -31.22 57.11 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.703 -0.68 . . . . 75.11 110.495 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.405 ' HB2' ' HE1' ' A' ' 12' ' ' HIS . . . -68.1 -29.09 67.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.066 -0.516 . . . . 75.2 111.099 179.781 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -50.73 -28.52 9.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 74.53 111.102 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -117.63 19.02 14.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 73.12 111.212 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 28.3 mttt 49.96 30.68 4.17 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.456 -0.338 . . . . 75.5 111.261 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 35.4 t -56.5 92.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 53.34 110.625 179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -63.95 104.42 0.7 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.983 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.667 HD13 ' CD2' ' B' ' 46' ' ' PHE . 4.3 mt -91.91 135.84 26.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.867 -0.606 . . . . 75.34 110.348 179.663 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' THR . 29.6 mt -74.67 -22.35 58.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.729 0.299 . . . . 74.53 111.073 -179.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.432 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.4 OUTLIER -151.08 143.47 24.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.962 0.411 . . . . 64.02 110.994 179.631 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.445 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -142.22 121.62 13.19 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.0 -0.545 . . . . 74.31 110.278 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 8.8 m -154.67 138.08 15.86 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 120.97 0.414 . . . . 63.14 111.861 -179.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 1.038 HG11 HD21 ' B' ' 15' ' ' LEU . 7.4 p -131.23 135.99 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.444 0 CA-C-N 115.869 -0.605 . . . . 72.43 110.829 179.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 57.8 p -136.72 154.01 50.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.343 -0.39 . . . . 74.23 111.158 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.416 HG22 ' OD2' ' B' ' 10' ' ' ASP . 18.6 p -96.93 121.85 39.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 73.42 110.854 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -88.79 -80.12 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.292 -0.413 . . . . 74.14 111.231 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.76 45.69 2.91 Favored Glycine 0 C--N 1.33 0.234 0 C-N-CA 120.667 -0.778 . . . . 71.54 112.933 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.3 t70 68.42 -65.42 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.755 0.312 . . . . 74.2 111.249 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.418 ' O ' HD12 ' B' ' 9' ' ' LEU . 0.0 OUTLIER -94.93 35.76 1.24 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 65.54 111.22 -179.788 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 13.1 t -137.57 113.1 10.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 72.23 110.712 179.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' B' ' 8' ' ' ALA . . . -97.32 114.54 26.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 44.34 111.323 -179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . . . . . . . . . 33.3 mt -102.58 109.77 27.43 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 115.942 -0.572 . . . . 62.24 110.928 179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.93 149.4 22.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 61.43 110.781 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.59 117.94 11.4 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.133 -0.485 . . . . 75.41 110.524 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.667 ' CD2' HD13 ' B' ' 29' ' ' ILE . 80.1 m-85 -121.78 125.25 46.09 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 116.143 -0.481 . . . . 74.55 111.235 -179.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 41.5 m -111.0 115.24 29.14 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.13 -0.486 . . . . 74.41 110.194 179.47 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.535 ' CE1' HD11 ' B' ' 56' ' ' LEU . 3.4 p90 -138.85 171.34 14.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.31 -0.405 . . . . 75.24 111.175 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -88.42 165.78 14.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.99 -0.55 . . . . 73.22 110.678 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 37.1 ttp -108.9 141.26 41.23 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 116.3 -0.409 . . . . 70.1 111.178 -179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -144.88 -60.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.895 -0.669 . . . . 74.52 112.349 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -106.39 138.71 19.8 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 120.555 0.217 . . . . 63.05 110.794 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -77.27 -39.26 0.6 Allowed 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.505 2.136 . . . . 52.15 112.383 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 1.3 tpmp? -63.83 -27.15 68.97 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.006 -0.543 . . . . 73.14 111.057 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -77.4 -44.38 29.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.376 -0.374 . . . . 74.11 110.727 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.535 HD11 ' CE1' ' B' ' 48' ' ' PHE . 0.7 OUTLIER -71.93 -31.67 66.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 53.33 110.204 179.467 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.63 -40.54 26.75 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.706 -0.759 . . . . 72.44 111.917 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -79.2 -29.08 42.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.695 0.283 . . . . 73.3 110.889 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.882 ' O ' HG23 ' B' ' 63' ' ' VAL . 6.5 tt -61.47 -45.36 94.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.889 0.376 . . . . 60.14 110.834 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.5 mt -60.78 -47.99 83.82 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.986 -0.552 . . . . 72.13 110.812 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -61.38 -36.96 81.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 52.41 110.786 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.51 86.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.041 -0.527 . . . . 62.43 110.811 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.882 HG23 ' O ' ' B' ' 59' ' ' LEU . 13.9 t -58.2 -30.85 40.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.53 . . . . 53.41 110.918 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 4.9 mtt85 -62.69 -27.29 69.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 74.12 110.757 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -83.14 3.97 28.49 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.251 -0.431 . . . . 73.03 111.553 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.585 HG23 ' O ' ' B' ' 63' ' ' VAL . 23.7 t -81.02 104.22 9.22 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 CA-C-O 120.934 0.397 . . . . 74.32 110.645 179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.576 ' O ' HD21 ' B' ' 14' ' ' LEU . 7.3 mt-10 -53.72 120.17 5.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 70.54 110.871 179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.05 -23.93 20.01 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.01 112.76 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.653 HG22 ' HB2' ' B' ' 8' ' ' ALA . 47.6 t -80.9 121.34 34.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 120.88 0.371 . . . . 75.03 110.941 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -69.0 -53.93 17.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 75.41 111.055 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -166.77 169.05 13.72 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.967 -0.561 . . . . 71.54 111.15 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.614 HG21 ' CG1' ' B' ' 63' ' ' VAL . 24.0 t -131.15 139.35 51.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 115.993 -0.549 . . . . 72.14 111.107 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 40.0 m-85 -135.18 122.49 21.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.26 -0.427 . . . . 71.41 111.18 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.33 109.21 2.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 73.22 110.812 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.485 HG12 ' N ' ' B' ' 76' ' ' THR . 97.9 t -86.13 158.07 3.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.49 . . . . 70.32 111.212 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.485 ' N ' HG12 ' B' ' 75' ' ' VAL . 7.9 m 57.96 33.45 23.21 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.953 -0.567 . . . . 70.41 111.053 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 1.9 t -99.11 87.55 3.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.311 -0.404 . . . . 64.34 110.886 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 58.85 173.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.03 111.09 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.215 -0.898 . . . . 72.31 111.069 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 1' ' ' LEU . 1.5 mp . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.855 0.36 . . . . 75.31 111.142 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 23.0 t -82.32 149.13 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 64.2 111.174 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -113.71 168.46 9.76 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.119 -0.492 . . . . 74.21 110.862 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 29.8 mt -139.77 131.9 34.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 CA-C-O 120.992 0.425 . . . . 71.33 111.455 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.66 ' O ' HG13 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -100.01 143.93 29.65 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.931 -0.577 . . . . 71.15 110.29 179.524 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.417 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 15.4 t -141.19 112.71 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.869 0.366 . . . . 64.13 111.342 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -94.19 134.76 36.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.009 -0.541 . . . . 72.24 110.395 179.578 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.666 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.46 169.06 24.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.874 0.368 . . . . 73.52 111.464 -179.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 14' ' ' LEU . 13.0 tp -53.88 153.85 4.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.028 -0.533 . . . . 53.54 111.167 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.549 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 1.4 m-20 -66.49 87.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.14 111.2 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.46 139.76 18.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 74.23 110.654 179.69 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.579 ' HB2' HD12 ' B' ' 29' ' ' ILE . 0.3 OUTLIER -74.43 -35.0 63.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.972 0.415 . . . . 72.33 110.918 -179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -61.71 -27.54 68.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.073 -0.512 . . . . 71.35 111.324 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.727 ' O ' HG23 ' A' ' 18' ' ' VAL . 13.8 mt -60.23 -52.15 66.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 72.12 111.013 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.496 HD22 ' HB3' ' B' ' 32' ' ' ALA . 0.7 OUTLIER -61.72 -32.36 72.58 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.138 -0.483 . . . . 73.23 110.512 179.738 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.431 ' N ' ' HG ' ' A' ' 15' ' ' LEU . 10.2 t -70.25 -43.67 70.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.034 -0.53 . . . . 64.41 110.41 179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -63.34 -41.1 98.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.064 -0.516 . . . . 74.11 110.466 179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.727 HG23 ' O ' ' A' ' 14' ' ' LEU . 38.0 t -66.44 -44.53 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.972 -0.558 . . . . 63.45 110.665 179.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 80.1 m -63.22 -35.8 81.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.928 -0.578 . . . . 72.25 110.496 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -41.59 98.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.986 -0.552 . . . . 73.3 110.72 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.63 -38.17 89.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.997 -0.547 . . . . 74.43 110.894 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.756 HD23 HD22 ' A' ' 59' ' ' LEU . 79.9 mt -67.22 -50.93 58.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 75.54 110.729 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.14 -29.34 70.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.479 . . . . 73.12 111.097 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -57.24 -29.63 63.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.891 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -103.46 22.81 13.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.025 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 mmmt 60.58 40.42 16.75 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.877 0.37 . . . . 53.02 111.043 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 22' ' ' LEU . 22.7 t -95.25 102.7 13.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 63.02 111.108 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 68.1 m-20 -73.71 119.92 18.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 63.02 110.959 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.33 130.07 45.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.14 -0.482 . . . . 73.12 111.114 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.47 ' CD1' HD23 ' A' ' 1' ' ' LEU . 40.0 mt -77.15 -35.66 55.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 72.1 110.863 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m -170.94 170.42 6.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.455 . . . . 72.51 110.97 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HB1' ' CD2' ' A' ' 46' ' ' PHE . . . -168.06 155.04 7.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 42.04 111.132 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 33.4 t -163.63 146.48 9.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.53 111.043 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.739 HG12 ' CB ' ' A' ' 44' ' ' SER . 14.1 m -131.01 142.19 44.21 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.222 -0.445 . . . . 74.4 111.135 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.2 t -136.55 140.06 42.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.232 -0.44 . . . . 73.22 111.092 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 35.8 m -68.64 117.78 10.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 71.24 110.963 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.47 -67.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.232 -0.44 . . . . 63.51 110.858 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.81 -95.35 1.56 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.817 -0.706 . . . . 40.34 112.315 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -118.15 -69.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.867 0.365 . . . . 74.35 110.724 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.559 ' O ' HD12 ' A' ' 9' ' ' LEU . 0.1 OUTLIER -98.95 34.64 2.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 74.31 110.559 179.49 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.46 125.88 33.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 CA-C-N 115.684 -0.689 . . . . 74.23 111.124 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.549 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -123.65 124.96 43.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.275 -0.42 . . . . 74.01 111.234 -179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.8 mt -89.86 143.2 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.136 -0.484 . . . . 70.43 110.79 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.739 ' CB ' HG12 ' A' ' 34' ' ' VAL . 2.1 m -130.41 153.59 48.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 73.14 111.187 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 34.3 mtt85 -143.92 149.76 37.35 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-N 115.92 -0.582 . . . . 43.44 110.551 179.697 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.407 ' CD2' ' HB1' ' A' ' 32' ' ' ALA . 11.4 m-85 -149.22 125.49 10.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.911 0.386 . . . . 64.33 111.217 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -104.16 123.25 46.95 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-N 115.968 -0.56 . . . . 74.21 110.623 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.402 ' CZ ' HD12 ' A' ' 56' ' ' LEU . 0.4 OUTLIER -150.92 135.7 17.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.307 -0.406 . . . . 74.22 111.096 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -88.81 125.8 35.07 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.175 -0.466 . . . . 64.54 110.885 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 15.2 mmt -149.87 165.72 31.7 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.322 -0.399 . . . . 73.44 111.028 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.47 -39.97 0.52 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.719 -0.753 . . . . 74.22 112.475 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -69.44 110.84 7.06 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.6 0.238 . . . . 72.15 110.916 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_endo -69.2 -24.17 32.54 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.324 2.016 . . . . 73.44 112.453 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -32.95 74.06 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.331 -0.395 . . . . 72.32 111.092 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -77.26 -42.23 37.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 71.35 110.635 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD12 ' CZ ' ' A' ' 48' ' ' PHE . 6.2 tt -73.64 -32.37 63.98 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.01 0.433 . . . . 75.0 110.1 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.71 -45.1 36.56 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.794 -0.717 . . . . 74.1 111.645 179.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -72.11 -34.37 68.56 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.836 0.35 . . . . 71.33 110.497 179.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.905 ' O ' HG23 ' A' ' 63' ' ' VAL . 11.2 mt -62.12 -44.36 96.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 71.53 110.667 179.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -48.38 81.09 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.892 -0.594 . . . . 71.12 110.774 179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -61.68 -40.16 93.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 75.44 110.594 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.85 94.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.075 -0.511 . . . . 71.12 110.682 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 59' ' ' LEU . 24.2 t -56.13 -34.16 38.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.867 -0.606 . . . . 74.43 111.262 179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 13.4 mtt-85 -59.56 -29.4 67.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.294 -0.412 . . . . 71.05 110.733 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -78.43 -4.24 47.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.244 -0.435 . . . . 74.2 111.364 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.2 t -77.64 104.15 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-O 120.846 0.355 . . . . 74.54 110.855 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -51.68 120.98 5.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.092 -0.503 . . . . 74.1 110.747 179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.12 -23.04 21.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.727 -0.749 . . . . 72.24 112.623 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.5 ' HA ' ' HB2' ' A' ' 8' ' ' ALA . 59.7 t -84.37 125.52 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 120.843 0.354 . . . . 72.24 111.095 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -74.99 -55.64 5.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 63.24 111.256 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -166.72 169.18 13.68 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.175 -0.466 . . . . 73.2 111.335 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.66 HG13 ' O ' ' A' ' 5' ' ' GLN . 39.9 t -126.68 138.1 55.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-N 115.802 -0.636 . . . . 73.25 111.199 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.42 120.39 18.64 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.423 -0.353 . . . . 63.23 111.168 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -61.67 111.62 1.92 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.302 -0.408 . . . . 75.24 110.889 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 21.2 t -85.99 158.71 3.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 CA-C-N 116.24 -0.436 . . . . 75.21 111.232 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.482 ' N ' HG12 ' A' ' 75' ' ' VAL . 17.7 p -147.93 -47.08 0.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 75.33 110.888 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 81.5 p -163.37 120.51 1.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 74.21 110.95 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -87.72 133.49 33.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.147 -0.478 . . . . 51.12 111.092 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.139 0 CA-C-O 118.181 -0.914 . . . . 63.12 111.107 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 12.3 mt . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.834 0.35 . . . . 74.32 111.143 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 26.1 t -82.23 149.12 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.202 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.468 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -116.76 168.52 10.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 116.188 -0.46 . . . . 72.13 111.131 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.492 HD11 ' CE1' ' B' ' 48' ' ' PHE . 24.6 mt -140.41 132.12 31.22 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.262 -0.426 . . . . 75.25 111.382 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.439 ' HB2' HG23 ' B' ' 75' ' ' VAL . 1.9 tt0 -109.36 105.83 15.37 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.127 -0.488 . . . . 65.12 110.439 179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 18.3 t -102.62 112.84 37.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.207 -0.451 . . . . 54.42 111.555 -179.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.469 ' OE2' HD12 ' B' ' 43' ' ' ILE . 3.4 tt0 -96.85 134.81 39.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.144 -0.48 . . . . 75.13 110.405 179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.782 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -159.37 162.18 35.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.91 0.386 . . . . 75.53 111.383 -179.805 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.582 ' O ' HD23 ' B' ' 14' ' ' LEU . 3.2 pp -57.24 140.04 50.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.005 -0.543 . . . . 73.32 110.856 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' B' ' 42' ' ' ALA . 25.3 t0 -60.08 107.85 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 73.03 111.104 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.01 164.49 30.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 62.53 110.776 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 15.3 p80 -90.5 -48.9 6.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 73.15 111.025 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 10.2 ttm180 -75.06 -23.11 58.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.257 -0.429 . . . . 73.14 111.018 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.782 HD21 ' HB1' ' B' ' 8' ' ' ALA . 10.3 tp -54.08 -42.23 69.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.964 0.411 . . . . 70.11 111.075 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.632 HD22 HG11 ' B' ' 34' ' ' VAL . 42.0 tp -57.27 -50.44 72.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.075 -0.511 . . . . 73.21 110.501 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 64.3 m -60.29 -36.84 78.81 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 63.11 110.188 179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -60.93 -45.23 95.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.02 -0.536 . . . . 73.14 110.415 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.475 HG23 ' O ' ' B' ' 14' ' ' LEU . 54.4 t -63.1 -50.89 77.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.03 -0.532 . . . . 75.1 110.687 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -34.32 76.64 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.89 -0.596 . . . . 41.42 110.305 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' B' ' 23' ' ' ALA . 0.0 OUTLIER -70.2 -45.73 66.01 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.073 -0.512 . . . . 75.32 110.616 179.714 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -49.31 -41.98 39.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.242 0.544 . . . . 70.35 110.31 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.601 HD22 ' CD1' ' B' ' 59' ' ' LEU . 13.6 mt -83.56 -27.96 28.91 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 115.489 -0.778 . . . . 75.11 110.181 178.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . 0.433 ' HB3' ' HA ' ' B' ' 20' ' ' ARG . . . -59.61 -34.17 72.41 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.921 -0.581 . . . . 75.2 110.859 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -50.08 -27.42 5.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 74.53 110.853 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -110.19 -17.24 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.093 -0.503 . . . . 73.12 111.129 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mttt 71.44 43.01 0.64 Allowed 'General case' 0 C--O 1.231 0.11 0 CA-C-O 120.937 0.398 . . . . 75.5 110.966 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 22.1 t -66.35 103.1 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.031 -0.531 . . . . 53.34 110.69 179.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 9.1 t30 -63.73 107.95 1.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.967 0.413 . . . . 74.34 110.534 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.606 HG21 ' HB3' ' B' ' 46' ' ' PHE . 2.6 mt -94.71 135.47 28.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.734 -0.667 . . . . 75.34 110.509 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' B' ' 47' ' ' THR . 12.4 mt -74.48 -20.8 59.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.81 0.338 . . . . 74.53 110.303 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.7 OUTLIER -154.77 134.05 12.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.113 -0.494 . . . . 64.02 110.631 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.496 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -135.88 121.64 19.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.963 -0.562 . . . . 74.31 110.34 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 94.4 p -157.96 140.89 14.93 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.007 0.432 . . . . 63.14 111.779 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.632 HG11 HD22 ' B' ' 15' ' ' LEU . 9.4 p -131.19 129.31 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 115.925 -0.579 . . . . 72.43 111.122 179.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 34.6 p -136.57 153.74 50.89 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.141 -0.481 . . . . 74.23 111.055 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 35.3 p -59.8 137.92 57.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 73.42 110.875 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -78.06 -61.74 1.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 74.14 110.915 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -155.76 -91.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.719 -0.753 . . . . 71.54 112.421 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.49 ' O ' HG23 ' B' ' 41' ' ' VAL . 0.4 OUTLIER -112.11 105.78 14.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.852 0.358 . . . . 74.2 110.892 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 19.1 ttt85 60.82 39.61 16.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 65.54 110.873 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.49 HG23 ' O ' ' B' ' 39' ' ' ASP . 21.5 t -137.19 154.59 30.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.108 -0.496 . . . . 72.23 111.17 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . 0.474 ' HB2' ' HA ' ' B' ' 10' ' ' ASP . . . -139.08 138.15 36.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 44.34 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.469 HD12 ' OE2' ' B' ' 7' ' ' GLU . 3.5 tt -130.01 127.98 64.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 CA-C-N 116.188 -0.46 . . . . 62.24 111.266 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 2.4 m -97.9 158.25 15.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 61.43 110.595 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.05 118.43 12.13 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.267 -0.424 . . . . 75.41 110.367 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.606 ' HB3' HG21 ' B' ' 29' ' ' ILE . 59.1 m-85 -123.4 125.3 44.71 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.143 -0.48 . . . . 74.55 111.283 -179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.447 ' O ' ' N ' ' B' ' 30' ' ' LEU . 45.0 m -114.39 115.16 26.88 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.831 -0.622 . . . . 74.41 109.963 179.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.492 ' CE1' HD11 ' B' ' 4' ' ' ILE . 2.8 p90 -140.4 171.6 13.91 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.272 -179.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.23 165.82 14.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.877 -0.601 . . . . 73.22 110.608 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.4 ptp -108.96 151.06 26.83 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 120.971 0.415 . . . . 70.1 111.296 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -159.75 -51.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.926 -0.654 . . . . 74.52 112.297 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -106.47 99.56 25.16 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.584 0.23 . . . . 63.05 110.795 179.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -49.43 -42.81 40.53 Favored 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.455 2.103 . . . . 52.15 112.591 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 2.9 mptt -62.74 -37.89 88.37 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.063 -0.517 . . . . 73.14 110.925 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.623 ' O ' HD23 ' B' ' 59' ' ' LEU . 0.5 OUTLIER -77.56 -41.84 37.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.982 -0.553 . . . . 74.11 110.555 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.24 -33.01 72.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.014 0.435 . . . . 53.33 110.125 179.479 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.69 -41.69 23.42 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.796 -0.716 . . . . 72.44 111.79 179.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 2.9 t-160 -75.1 -24.31 58.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.647 0.261 . . . . 73.3 110.983 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.791 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.5 OUTLIER -58.84 -50.91 72.23 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 121.021 0.439 . . . . 60.14 111.035 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.494 HD21 ' HD2' ' B' ' 74' ' ' ARG . 3.0 mp -56.94 -47.65 80.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.892 -0.595 . . . . 72.13 110.913 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -62.32 -38.53 89.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.209 -0.45 . . . . 52.41 110.718 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.87 -40.01 95.54 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.079 -0.51 . . . . 62.43 110.814 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.791 HG23 ' O ' ' B' ' 59' ' ' LEU . 24.4 t -58.13 -31.83 42.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.049 -0.523 . . . . 53.41 110.989 179.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 mtt85 -62.51 -25.67 68.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 74.12 110.92 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -72.58 -12.09 60.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.328 -0.396 . . . . 73.03 111.377 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 63' ' ' VAL . 40.6 t -65.09 103.96 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 CA-C-O 120.919 0.39 . . . . 74.32 110.495 179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -50.06 115.78 1.56 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.992 -0.549 . . . . 70.54 110.808 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.22 -16.05 30.08 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.695 -0.765 . . . . 74.01 112.579 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.592 HG12 ' O ' ' B' ' 66' ' ' VAL . 9.8 p -75.6 121.4 27.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-O 120.85 0.357 . . . . 75.03 111.145 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 94.5 m-85 -71.09 -49.72 41.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.28 -0.418 . . . . 75.41 110.914 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -167.31 165.08 15.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.558 . . . . 71.54 111.077 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.58 HG21 ' HB ' ' B' ' 63' ' ' VAL . 33.1 t -131.51 132.35 62.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-N 116.07 -0.514 . . . . 72.14 110.809 179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.26 128.98 32.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-O 120.82 0.343 . . . . 71.41 111.225 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.494 ' HD2' HD21 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -69.74 110.57 4.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.22 110.789 179.759 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.501 HG12 ' N ' ' B' ' 76' ' ' THR . 87.0 t -85.76 158.74 3.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.165 -0.471 . . . . 70.32 111.186 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.501 ' N ' HG12 ' B' ' 75' ' ' VAL . 6.8 m 62.63 85.49 0.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.975 -0.557 . . . . 70.41 110.962 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 5.8 m -165.88 103.21 0.67 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 64.34 110.835 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.05 105.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.03 111.121 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.23 -0.891 . . . . 72.31 111.149 -179.999 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.877 0.37 . . . . 75.31 111.182 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.526 HG23 ' CE ' ' A' ' 50' ' ' MET . 22.0 t -82.21 144.09 10.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 64.2 111.136 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.56 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -108.5 167.43 10.05 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.16 -0.473 . . . . 74.21 110.997 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.688 HD11 ' CE1' ' A' ' 48' ' ' PHE . 27.5 mt -141.92 133.15 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-O 120.899 0.38 . . . . 71.33 111.434 -179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.517 ' HG3' HG21 ' A' ' 75' ' ' VAL . 0.1 OUTLIER -105.55 104.87 14.68 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.145 -0.48 . . . . 71.15 110.723 179.842 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.515 HG13 HG22 ' A' ' 72' ' ' VAL . 21.8 t -103.87 112.7 38.41 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 CA-C-N 116.321 -0.4 . . . . 64.13 111.268 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.553 ' O ' HG13 ' A' ' 69' ' ' VAL . 8.4 tt0 -90.63 133.8 34.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 72.24 110.788 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.681 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.35 166.86 30.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.858 0.361 . . . . 73.52 111.27 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.9 mt -52.09 149.62 5.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 53.54 111.017 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -65.91 76.83 0.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 71.14 111.023 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -153.54 130.15 10.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.23 110.848 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.882 ' ND1' HD12 ' B' ' 29' ' ' ILE . 32.6 t60 -59.03 -21.33 58.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.232 -0.44 . . . . 72.33 110.906 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -57.96 -38.64 76.39 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.86 0.362 . . . . 71.35 110.885 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.81 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.0 mm? -61.52 -43.72 98.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.104 -0.498 . . . . 72.12 110.767 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.514 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.8 mm? -59.75 -48.46 81.61 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.923 -0.581 . . . . 73.23 110.809 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.3 p -60.9 -41.22 95.66 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.91 -0.586 . . . . 64.41 110.585 179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -61.69 -41.67 97.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.026 -0.533 . . . . 74.11 110.569 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 14' ' ' LEU . 37.6 t -66.74 -39.93 84.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.045 -0.525 . . . . 63.45 110.833 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 73.2 m -65.69 -36.91 85.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.96 -0.564 . . . . 72.25 110.612 179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -40.74 97.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.911 -0.586 . . . . 73.3 110.714 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.33 -41.39 98.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.058 -0.519 . . . . 74.43 110.943 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.699 HD13 HG12 ' A' ' 29' ' ' ILE . 24.4 mt -65.26 -49.28 70.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.993 -0.549 . . . . 75.54 110.817 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.79 -29.43 69.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.508 . . . . 73.12 111.122 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -58.41 -31.1 67.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 72.31 111.0 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -108.94 25.86 11.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.263 -0.426 . . . . 72.53 111.088 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.65 30.48 15.53 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.374 -0.375 . . . . 53.02 111.136 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 22' ' ' LEU . 31.0 t -75.86 125.16 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.065 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.2 p-10 -94.09 115.77 28.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 63.02 110.926 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.699 HG12 HD13 ' A' ' 22' ' ' LEU . 4.0 mp -96.3 129.59 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 73.12 111.134 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.705 HD11 ' HG3' ' A' ' 49' ' ' GLU . 58.4 mt -75.15 -32.05 61.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 72.1 110.971 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.891 ' OG ' HG23 ' B' ' 35' ' ' THR . 4.8 m -173.18 171.52 4.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 72.51 110.927 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.407 ' HA ' ' O ' ' A' ' 45' ' ' ARG . . . -163.94 146.03 9.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 42.04 111.147 179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.5 t -163.58 129.91 3.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.304 -0.407 . . . . 71.53 110.903 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.8 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.2 p -121.28 141.46 41.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.276 -0.42 . . . . 74.4 111.461 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.5 p -136.49 154.12 50.83 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.069 -0.514 . . . . 73.22 110.891 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 121.07 8.92 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.236 -0.438 . . . . 71.24 111.015 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.15 -66.13 0.8 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 63.51 110.865 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -146.26 -113.07 0.78 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.735 -0.745 . . . . 40.34 112.533 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -95.36 103.72 15.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.349 . . . . 74.35 110.935 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 12.0 mtp85 64.25 38.32 8.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 74.31 110.859 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.0 t -137.38 147.4 26.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.144 -0.48 . . . . 74.23 111.142 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.24 120.51 14.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 74.01 111.07 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.8 ' C ' HG23 ' A' ' 34' ' ' VAL . 3.1 tp -97.91 120.25 47.0 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 116.199 -0.455 . . . . 70.43 111.195 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.537 ' N ' HG23 ' A' ' 34' ' ' VAL . 4.2 p -98.77 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.29 -0.414 . . . . 73.14 111.056 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.407 ' O ' ' HA ' ' A' ' 32' ' ' ALA . 18.3 mtt180 -116.13 117.12 29.19 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.066 -0.515 . . . . 43.44 110.519 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -112.4 129.43 56.32 Favored 'General case' 0 N--CA 1.451 -0.376 0 CA-C-N 116.325 -0.398 . . . . 64.33 111.346 -179.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 88.7 m -107.9 124.0 49.46 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.984 -0.553 . . . . 74.21 110.608 179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.688 ' CE1' HD11 ' A' ' 4' ' ' ILE . 1.0 OUTLIER -150.78 171.13 17.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 74.22 111.149 -179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.705 ' HG3' HD11 ' A' ' 30' ' ' LEU . 18.4 mt-10 -88.54 165.74 14.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.102 -0.499 . . . . 64.54 110.842 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.526 ' CE ' HG23 ' A' ' 2' ' ' VAL . 7.6 ptp -109.03 144.52 36.93 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.229 -0.441 . . . . 73.44 111.103 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.6 -76.73 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.792 -0.718 . . . . 74.22 112.422 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -106.34 141.6 23.12 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 120.652 0.263 . . . . 72.15 110.823 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -75.9 -33.35 3.8 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.497 2.131 . . . . 73.44 112.417 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.76 -38.58 91.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.044 -0.525 . . . . 72.32 110.945 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.1 m170 -77.49 -44.39 28.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 71.35 110.657 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 60' ' ' LEU . 8.3 mp -68.67 -33.88 74.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.062 0.458 . . . . 75.0 110.041 179.204 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.8 -40.0 37.97 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.678 -0.772 . . . . 74.1 111.658 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -70.33 -32.62 70.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.744 0.307 . . . . 71.33 110.793 179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.882 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.1 OUTLIER -62.59 -47.16 85.02 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.02 0.438 . . . . 71.53 110.924 179.931 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 56' ' ' LEU . 8.2 mp -58.45 -48.35 81.02 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.93 -0.577 . . . . 71.12 110.837 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -61.44 -39.72 91.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.48 . . . . 75.44 110.699 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.68 -40.78 98.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.066 -0.516 . . . . 71.12 110.699 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.882 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.9 t -56.68 -32.62 38.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 115.892 -0.595 . . . . 74.43 111.094 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 35.2 mtt180 -60.7 -29.03 69.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 71.05 110.838 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -79.07 -2.94 42.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 74.2 111.436 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.0 t -76.4 104.14 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-O 120.852 0.358 . . . . 74.54 110.697 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -51.49 120.65 5.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.061 -0.518 . . . . 74.1 110.76 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.511 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.24 -24.02 19.34 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.728 -0.748 . . . . 72.24 112.606 -179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.595 HG22 ' HB2' ' A' ' 8' ' ' ALA . 52.1 t -83.02 127.36 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-O 120.819 0.342 . . . . 72.24 111.089 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.4 -61.18 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 63.24 111.319 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -159.74 169.16 24.25 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 73.2 111.076 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.515 HG22 HG13 ' A' ' 6' ' ' VAL . 22.0 t -130.37 135.35 60.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.351 -179.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.45 134.91 40.1 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 120.863 0.363 . . . . 63.23 111.264 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.441 ' HD3' HG11 ' A' ' 2' ' ' VAL . 0.1 OUTLIER -67.17 113.86 5.45 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 75.24 110.833 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.56 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 11.6 t -87.53 160.04 2.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 75.21 111.261 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.477 ' N ' HG12 ' A' ' 75' ' ' VAL . 1.7 p -147.17 57.63 1.14 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 75.33 110.887 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.4 m -75.55 132.5 40.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.085 -0.507 . . . . 74.21 110.922 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 58.9 106.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.451 . . . . 51.12 111.116 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.289 -0.862 . . . . 63.12 111.11 179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.695 HD11 HD13 ' B' ' 30' ' ' LEU . 1.5 tp . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.783 0.325 . . . . 74.32 111.17 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t -128.04 137.67 56.87 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 CA-C-N 116.194 -0.457 . . . . 71.32 111.256 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.412 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -105.37 165.2 11.29 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.163 -0.472 . . . . 72.13 111.062 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.411 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 32.9 mt -144.47 134.91 20.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 116.252 -0.431 . . . . 75.25 111.333 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -110.54 115.72 30.12 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.093 -0.503 . . . . 65.12 110.743 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -106.96 112.83 41.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 116.343 -0.39 . . . . 54.42 111.471 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.605 ' O ' HG13 ' B' ' 69' ' ' VAL . 7.6 tt0 -92.26 136.93 32.79 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.139 -0.482 . . . . 75.13 110.766 179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.47 ' HB2' HG22 ' B' ' 69' ' ' VAL . . . -159.37 162.55 35.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.969 0.414 . . . . 75.53 111.286 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.766 HD11 ' CG ' ' B' ' 40' ' ' ARG . 0.3 OUTLIER -58.52 127.23 31.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.959 -0.564 . . . . 73.32 111.0 179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.643 ' N ' HD13 ' B' ' 9' ' ' LEU . 24.6 t0 -64.47 89.55 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 73.03 110.861 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.575 ' HG3' HD12 ' B' ' 9' ' ' LEU . 46.2 mtp180 -128.14 167.66 16.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 62.53 110.958 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 56.5 p-80 -91.12 55.93 3.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 73.15 110.839 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -176.6 -39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.897 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.648 ' O ' HG23 ' B' ' 18' ' ' VAL . 7.6 mt -54.03 -36.3 62.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 70.11 110.855 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.744 HD23 HG21 ' B' ' 34' ' ' VAL . 3.2 mt -59.57 -54.92 40.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.042 -0.527 . . . . 73.21 110.361 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.86 -32.49 70.75 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.774 -0.648 . . . . 63.11 110.136 179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -63.14 -45.13 93.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.988 -0.551 . . . . 73.14 110.284 179.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.648 HG23 ' O ' ' B' ' 14' ' ' LEU . 32.3 t -65.9 -42.56 92.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.992 -0.549 . . . . 75.1 110.487 179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.729 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.6 -39.95 80.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.833 -0.621 . . . . 41.42 110.159 179.329 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.51 -37.86 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.876 -0.602 . . . . 75.32 110.75 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.56 -47.99 83.39 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.146 -0.479 . . . . 70.35 110.733 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.441 HD13 HD11 ' B' ' 29' ' ' ILE . 58.5 mt -71.96 -33.94 68.59 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.793 -0.639 . . . . 75.11 110.511 179.641 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -75.65 -24.21 56.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.059 -0.519 . . . . 75.2 111.175 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -52.44 -38.86 60.2 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.986 0.422 . . . . 74.53 110.96 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -102.97 21.88 14.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 73.12 110.885 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.4 27.56 8.33 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.315 -0.402 . . . . 75.5 111.157 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 44.0 t -59.4 90.47 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.34 -0.391 . . . . 53.34 110.409 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 -63.89 100.31 0.3 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.093 -0.503 . . . . 74.34 111.103 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.882 HD12 ' ND1' ' A' ' 12' ' ' HIS . 6.2 mt -89.05 137.3 21.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.01 -0.541 . . . . 75.34 110.077 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.695 HD13 HD11 ' B' ' 1' ' ' LEU . 15.9 mt -74.52 -23.31 58.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 74.53 111.045 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.449 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.3 OUTLIER -150.83 139.61 20.79 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.383 -0.371 . . . . 64.02 111.043 179.544 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.514 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -137.07 127.54 26.7 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 116.008 -0.542 . . . . 74.31 110.327 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.424 ' O ' ' N ' ' B' ' 45' ' ' ARG . 83.7 p -160.65 133.8 6.59 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.846 0.355 . . . . 63.14 111.725 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.744 HG21 HD23 ' B' ' 15' ' ' LEU . 11.5 p -131.18 131.02 63.77 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 CA-C-N 115.994 -0.548 . . . . 72.43 111.11 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.891 HG23 ' OG ' ' A' ' 31' ' ' SER . 9.3 m -136.54 143.27 43.61 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.214 -0.448 . . . . 74.23 110.995 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . 0.426 ' O ' HG23 ' B' ' 36' ' ' THR . 10.2 t -66.83 117.33 8.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.186 -0.461 . . . . 73.42 110.784 179.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.434 ' HB3' HD12 ' B' ' 43' ' ' ILE . 0.6 OUTLIER -58.58 -52.0 67.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.348 -0.387 . . . . 74.14 110.942 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.773 ' H ' HG23 ' B' ' 41' ' ' VAL . . . 154.6 100.24 0.18 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.471 -0.871 . . . . 71.54 113.206 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . 0.821 ' O ' HG22 ' B' ' 41' ' ' VAL . 2.9 t0 81.26 98.0 0.05 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.01 0.434 . . . . 74.2 111.938 179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . 0.766 ' CG ' HD11 ' B' ' 9' ' ' LEU . 4.0 ttp180 41.43 33.52 0.29 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.673 -0.694 . . . . 65.54 112.213 179.183 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.821 HG22 ' O ' ' B' ' 39' ' ' ASP . 1.2 m -137.75 126.41 33.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.133 -0.485 . . . . 72.23 111.253 179.44 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -125.53 144.25 50.64 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.313 -0.403 . . . . 44.34 111.317 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.434 HD12 ' HB3' ' B' ' 37' ' ' SER . 24.4 mt -130.04 126.35 61.83 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.461 0 CA-C-N 116.023 -0.535 . . . . 62.24 111.059 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . 0.425 ' HA ' ' HA ' ' B' ' 34' ' ' VAL . 0.9 OUTLIER -99.58 160.23 14.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.091 -0.504 . . . . 61.43 110.759 179.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' B' ' 33' ' ' SER . 1.0 OUTLIER -141.05 127.95 20.52 Favored 'General case' 0 N--CA 1.451 -0.395 0 CA-C-N 116.224 -0.444 . . . . 75.41 110.323 179.846 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.666 ' HB3' HG21 ' B' ' 29' ' ' ILE . 82.5 m-85 -132.21 125.33 30.9 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-O 121.012 0.434 . . . . 74.55 111.754 -179.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.438 ' O ' ' N ' ' B' ' 30' ' ' LEU . 40.3 m -110.87 115.24 29.18 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.87 -0.605 . . . . 74.41 109.745 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.459 ' HB3' HG23 ' B' ' 29' ' ' ILE . 3.3 p90 -136.28 171.53 14.35 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.057 0.456 . . . . 75.24 111.327 -179.236 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.43 ' HG3' HD11 ' B' ' 30' ' ' LEU . 3.0 mt-10 -88.14 165.75 14.89 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.894 -0.594 . . . . 73.22 110.738 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.4 ptm -108.87 144.31 36.93 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.315 -0.402 . . . . 70.1 111.4 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.28 -68.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.999 -0.62 . . . . 74.52 112.172 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.41 128.88 25.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 120.531 0.205 . . . . 63.05 110.509 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.41 -19.91 16.56 Favored 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.479 2.119 . . . . 52.15 112.787 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.74 -43.98 87.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.793 0.33 . . . . 73.14 111.246 -179.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.414 ' ND1' ' N ' ' B' ' 56' ' ' LEU . 7.9 p80 -77.78 -37.98 47.7 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.733 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.414 ' N ' ' ND1' ' B' ' 55' ' ' HIS . 0.3 OUTLIER -73.02 -33.44 65.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.005 0.431 . . . . 53.33 110.236 179.432 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.14 -40.03 25.67 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.721 -0.752 . . . . 72.44 111.833 179.361 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -78.63 -26.16 45.22 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.685 0.279 . . . . 73.3 110.915 179.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.832 ' O ' HG23 ' B' ' 63' ' ' VAL . 6.6 mt -61.79 -46.66 88.57 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.864 0.364 . . . . 60.14 110.895 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.38 -51.19 70.99 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.065 -0.516 . . . . 72.13 110.846 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 12.1 m-80 -61.08 -34.5 75.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 52.41 110.664 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.61 -43.34 89.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.115 -0.493 . . . . 62.43 110.869 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.832 HG23 ' O ' ' B' ' 59' ' ' LEU . 17.8 t -56.91 -32.9 40.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.931 -0.577 . . . . 53.41 111.117 179.755 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 1.9 mtt180 -61.26 -28.38 69.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.831 179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 34.8 m-20 -81.11 0.78 34.65 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 116.23 -0.441 . . . . 73.03 111.638 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.9 t -81.31 104.14 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 120.891 0.377 . . . . 74.32 110.652 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.545 ' O ' HD21 ' B' ' 14' ' ' LEU . 2.4 pt-20 -53.64 119.97 5.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.01 -0.541 . . . . 70.54 110.985 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.24 -24.07 19.2 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.724 -0.751 . . . . 74.01 112.774 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.605 HG13 ' O ' ' B' ' 7' ' ' GLU . 61.6 t -79.13 123.13 35.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.899 0.38 . . . . 75.03 110.876 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -68.72 -59.58 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 75.41 111.087 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -166.7 169.13 13.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.975 -0.557 . . . . 71.54 111.179 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.431 HG21 HG11 ' B' ' 63' ' ' VAL . 20.7 t -125.48 136.87 59.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.046 -0.525 . . . . 72.14 111.143 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -135.37 129.02 32.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.34 -0.391 . . . . 71.41 111.079 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 18.0 mtm180 -66.0 114.22 5.02 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.826 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.879 HG12 HG23 ' B' ' 76' ' ' THR . 92.4 t -86.0 158.8 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 70.32 111.242 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.879 HG23 HG12 ' B' ' 75' ' ' VAL . 82.2 p 51.84 88.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.861 -0.609 . . . . 70.41 111.245 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 2.1 m -147.15 32.24 0.91 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 64.34 110.834 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -117.1 175.63 5.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 72.03 111.217 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.236 -0.888 . . . . 72.31 111.073 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.857 0.36 . . . . 75.31 111.135 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.0 t -128.06 149.15 32.71 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.226 -0.443 . . . . 64.2 111.22 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.481 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -111.46 166.18 11.35 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.159 -0.473 . . . . 74.21 110.874 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.453 ' HB ' ' CZ ' ' A' ' 46' ' ' PHE . 36.1 mt -144.16 133.85 19.92 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 CA-C-O 121.025 0.44 . . . . 71.33 111.533 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.439 ' O ' HG13 ' A' ' 72' ' ' VAL . 5.3 tt0 -103.08 130.49 50.24 Favored 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 115.744 -0.662 . . . . 71.15 110.332 179.495 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.441 ' HB ' ' HB2' ' A' ' 44' ' ' SER . 8.5 t -124.88 112.87 33.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 120.848 0.356 . . . . 64.13 111.417 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.564 ' O ' HG13 ' A' ' 69' ' ' VAL . 28.8 mt-10 -93.25 132.99 36.92 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.124 -0.489 . . . . 72.24 110.619 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.558 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.33 170.85 20.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.376 -0.374 . . . . 73.52 111.329 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.715 HD13 ' O ' ' A' ' 40' ' ' ARG . 2.8 mm? -52.36 149.69 5.39 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.1 -0.5 . . . . 53.54 111.086 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.519 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 13.3 t70 -68.04 78.62 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 71.14 111.224 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.595 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -153.49 133.35 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.23 110.807 179.768 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.576 ' ND1' HD12 ' B' ' 29' ' ' ILE . 2.8 t60 -59.74 -29.08 67.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.473 -0.33 . . . . 72.33 110.707 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 mtm180 -57.66 -34.83 69.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.298 -0.41 . . . . 71.35 111.131 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.637 HD11 ' HA3' ' A' ' 68' ' ' GLY . 3.0 mm? -60.01 -51.96 67.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 72.12 110.969 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.743 ' CD1' HG11 ' A' ' 34' ' ' VAL . 0.6 OUTLIER -59.19 -42.39 90.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.97 -0.559 . . . . 73.23 110.717 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.3 t -62.78 -40.48 97.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.999 -0.546 . . . . 64.41 110.519 179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -63.62 -45.86 88.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.469 . . . . 74.11 110.582 179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 14' ' ' LEU . 24.5 t -66.2 -36.09 76.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.99 -0.55 . . . . 63.45 110.625 179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.654 ' HA ' HD12 ' A' ' 22' ' ' LEU . 67.8 m -66.84 -38.85 87.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.045 -0.525 . . . . 72.25 110.571 179.684 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.0 ttp180 -60.13 -38.77 84.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.57 . . . . 73.3 110.72 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.38 -40.11 89.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.011 -0.541 . . . . 74.43 110.96 179.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 19' ' ' THR . 17.4 mt -63.79 -50.97 66.89 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.959 -0.564 . . . . 75.54 110.773 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.76 -29.92 69.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.12 111.079 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -58.16 -30.63 66.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 72.31 110.966 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.54 21.88 14.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 72.53 111.145 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 57.61 39.65 27.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.863 0.363 . . . . 53.02 111.007 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 22' ' ' LEU . 21.8 t -90.08 127.49 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 63.02 111.085 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 41.6 m-20 -90.15 115.41 27.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 63.02 110.912 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.5 mt -90.38 120.91 40.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 73.12 111.082 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.587 HD12 ' CA ' ' A' ' 48' ' ' PHE . 6.2 mt -75.17 -35.62 61.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 72.1 111.009 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.4 t -163.23 163.05 25.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 72.51 111.07 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.468 ' HB3' HG12 ' B' ' 34' ' ' VAL . . . -161.28 140.41 10.14 Favored 'General case' 0 N--CA 1.454 -0.244 0 CA-C-N 116.22 -0.446 . . . . 42.04 111.309 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.8 t -163.66 138.53 6.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 71.53 110.679 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.799 HG12 ' HA ' ' A' ' 44' ' ' SER . 13.5 m -130.95 145.52 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.386 0 CA-C-N 116.394 -0.366 . . . . 74.4 111.527 -179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 46.9 p -136.56 149.18 47.95 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.055 -0.521 . . . . 73.22 110.87 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.2 m -77.26 112.88 14.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.247 -0.433 . . . . 71.24 111.039 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.46 ' HB2' HD11 ' A' ' 43' ' ' ILE . 8.7 t -63.99 -58.09 7.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.419 . . . . 63.51 110.758 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.697 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -126.92 -91.42 0.77 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.775 -0.726 . . . . 40.34 112.399 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -122.09 -73.4 0.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.838 0.351 . . . . 74.35 110.92 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.715 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -97.64 33.54 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.089 0.471 . . . . 74.31 110.546 179.721 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.697 HG23 ' H ' ' A' ' 38' ' ' GLY . 3.1 m -137.52 118.52 17.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.718 -0.673 . . . . 74.23 111.3 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.519 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -117.93 125.44 50.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.325 -0.398 . . . . 74.01 111.223 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.46 HD11 ' HB2' ' A' ' 37' ' ' SER . 18.5 mt -89.9 135.46 26.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.082 -0.508 . . . . 70.43 110.89 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.799 ' HA ' HG12 ' A' ' 34' ' ' VAL . 1.9 m -114.26 148.14 37.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.913 0.387 . . . . 73.14 111.32 -179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -144.0 117.26 9.0 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.869 -0.605 . . . . 43.44 110.408 179.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.453 ' CZ ' ' HB ' ' A' ' 4' ' ' ILE . 23.7 p90 -138.1 132.66 32.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.031 0.443 . . . . 64.33 111.513 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 55.8 m -104.45 138.65 40.53 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.728 -0.669 . . . . 74.21 110.51 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.587 ' CA ' HD12 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -150.87 166.5 30.38 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.293 -0.412 . . . . 74.22 111.053 179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.584 ' HG2' HD11 ' A' ' 30' ' ' LEU . 1.1 mm-40 -88.67 165.69 14.59 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.121 -0.49 . . . . 64.54 110.907 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.09 154.87 21.66 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.278 -0.419 . . . . 73.44 111.048 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -153.36 -80.99 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.815 -0.707 . . . . 74.22 112.498 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -98.63 139.25 20.98 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 120.602 0.239 . . . . 72.15 110.819 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 62.3 Cg_endo -73.37 -32.56 7.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.461 2.107 . . . . 73.44 112.393 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.9 ttmm -65.09 -35.16 80.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.1 -0.5 . . . . 72.32 110.866 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -77.47 -43.93 30.65 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.14 -0.482 . . . . 71.35 110.611 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -71.71 -31.61 66.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.255 -0.429 . . . . 75.0 110.073 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.42 -44.4 27.64 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.695 -0.765 . . . . 74.1 111.837 179.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 34.6 m80 -74.13 -30.76 62.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.755 0.312 . . . . 71.33 110.708 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.879 ' O ' HG23 ' A' ' 63' ' ' VAL . 57.3 tp -63.82 -46.95 82.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.239 -0.437 . . . . 71.53 110.932 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 44.6 mt -58.12 -50.07 74.76 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 71.12 110.766 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -61.55 -38.41 87.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.44 110.559 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.15 -39.33 94.34 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.901 179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.879 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.8 t -57.95 -33.68 46.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.035 -0.529 . . . . 74.43 110.997 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 28.5 mtt85 -61.52 -25.13 67.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.227 -0.442 . . . . 71.05 110.913 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -90.49 12.27 19.17 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.44 -0.346 . . . . 74.2 111.765 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 63' ' ' VAL . 26.7 t -83.36 104.26 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.915 0.388 . . . . 74.54 110.7 179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -54.65 120.35 6.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.985 -0.552 . . . . 74.1 110.692 179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.637 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.26 -22.98 21.84 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 72.24 112.735 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.564 HG13 ' O ' ' A' ' 7' ' ' GLU . 41.3 t -83.98 131.89 32.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-O 120.852 0.358 . . . . 72.24 111.124 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -82.5 -50.91 8.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.093 -0.503 . . . . 63.24 111.297 -179.783 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -166.78 169.12 13.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.146 -0.479 . . . . 73.2 111.232 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.623 HG21 HG11 ' A' ' 63' ' ' VAL . 23.5 t -131.41 138.18 53.71 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 CA-C-N 116.066 -0.515 . . . . 73.25 111.331 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -135.47 124.85 24.8 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 116.305 -0.407 . . . . 63.23 111.318 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -65.34 113.35 4.01 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.333 -0.394 . . . . 75.24 110.886 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 76' ' ' THR . 94.2 t -85.91 158.69 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 75.21 111.182 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.487 ' N ' HG12 ' A' ' 75' ' ' VAL . 1.7 m 65.63 75.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.973 -0.558 . . . . 75.33 110.978 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 7.4 t -163.34 74.28 0.35 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.895 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -91.3 93.39 9.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 51.12 111.055 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.269 -0.872 . . . . 63.12 111.136 -179.99 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 6.7 mt . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.803 0.335 . . . . 74.32 111.221 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.405 HG11 ' NE ' ' B' ' 74' ' ' ARG . 21.9 t -128.08 145.89 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 CA-C-N 116.208 -0.451 . . . . 71.32 111.189 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.5 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -111.84 168.06 9.87 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.063 -0.517 . . . . 72.13 111.013 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . . . . . . . . . 36.4 mt -142.91 132.0 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.39 0 CA-C-N 116.308 -0.405 . . . . 75.25 111.275 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.693 ' O ' HG13 ' B' ' 72' ' ' VAL . 2.3 mt-30 -103.85 143.58 32.64 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.976 -0.556 . . . . 65.12 110.675 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.13 112.83 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 CA-C-N 116.322 -0.399 . . . . 54.42 111.406 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.596 ' O ' HG13 ' B' ' 69' ' ' VAL . 21.4 mt-10 -91.92 140.06 30.04 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.129 -0.487 . . . . 75.13 110.882 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.48 158.28 31.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 75.53 111.107 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.712 ' O ' HD12 ' B' ' 14' ' ' LEU . 41.2 mt -57.85 134.52 56.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 73.32 110.905 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -59.15 107.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 73.03 111.038 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -153.38 169.61 22.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.214 -0.448 . . . . 62.53 110.922 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -101.28 31.25 3.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.885 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -141.99 -45.58 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 73.14 111.028 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.712 HD12 ' O ' ' B' ' 9' ' ' LEU . 34.2 mt -56.0 -36.75 68.27 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.019 -0.537 . . . . 70.11 110.926 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.801 HD11 HG11 ' B' ' 34' ' ' VAL . 0.8 OUTLIER -60.62 -56.78 17.22 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.106 -0.497 . . . . 73.21 110.294 179.711 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 41.8 t -59.1 -30.75 68.33 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.785 -0.643 . . . . 63.11 110.293 179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -64.56 -46.07 84.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.271 179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.641 HG23 ' O ' ' B' ' 14' ' ' LEU . 39.1 t -65.54 -42.53 93.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.994 -0.548 . . . . 75.1 110.358 179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.554 HG22 ' HE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.44 -40.57 81.08 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.82 -0.627 . . . . 41.42 110.159 179.378 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.0 ttt-85 -68.02 -38.58 82.75 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.776 -0.647 . . . . 75.32 110.755 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.72 -44.05 85.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 70.35 110.71 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 44.1 mt -74.35 -36.41 63.62 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.74 -0.663 . . . . 75.11 110.483 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.8 69.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.025 -0.534 . . . . 75.2 111.084 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -53.66 -32.23 50.68 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 74.53 110.927 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -107.57 17.33 22.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 73.12 111.088 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 30.9 mttt 53.29 30.3 9.88 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.384 -0.371 . . . . 75.5 111.176 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 47.7 t -59.65 92.04 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 53.34 110.637 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -64.12 106.21 1.02 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 74.34 111.041 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.644 HG21 ' HB3' ' B' ' 46' ' ' PHE . 4.8 mt -92.54 136.07 25.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.917 -0.583 . . . . 75.34 110.349 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' B' ' 47' ' ' THR . 38.5 mt -74.69 -21.63 59.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.868 0.366 . . . . 74.53 110.634 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.509 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -158.95 131.35 6.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 116.24 -0.436 . . . . 64.02 110.822 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -128.49 130.19 47.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.002 -0.544 . . . . 74.31 110.386 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.412 ' O ' ' N ' ' B' ' 45' ' ' ARG . 52.2 p -160.65 140.55 11.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 120.746 -0.382 . . . . 63.14 111.677 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.801 HG11 HD11 ' B' ' 15' ' ' LEU . 12.0 p -131.15 131.94 63.54 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.42 0 CA-C-N 116.073 -0.512 . . . . 72.43 111.18 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 80.6 p -136.61 151.57 49.49 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.184 -0.462 . . . . 74.23 110.946 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.4 p -82.6 139.48 33.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 73.42 110.889 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.736 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -85.32 -30.28 23.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 74.14 110.915 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -153.72 -82.22 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.781 -0.724 . . . . 71.54 112.322 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -136.43 -69.51 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.774 0.321 . . . . 74.2 110.777 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -97.94 35.79 1.66 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.04 0.448 . . . . 65.54 110.589 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.29 121.92 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.828 -0.624 . . . . 72.23 111.296 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -109.22 145.25 36.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 44.34 110.937 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.736 HD11 ' OG ' ' B' ' 37' ' ' SER . 26.3 mt -130.13 116.16 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 CA-C-N 116.233 -0.439 . . . . 62.24 111.284 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 1.3 m -98.08 152.85 18.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.672 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.412 ' N ' ' O ' ' B' ' 33' ' ' SER . 0.0 OUTLIER -143.75 118.64 9.95 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 116.406 -0.361 . . . . 75.41 110.463 179.824 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.644 ' HB3' HG21 ' B' ' 29' ' ' ILE . 72.6 m-85 -123.02 125.23 44.84 Favored 'General case' 0 N--CA 1.449 -0.497 0 CA-C-N 116.25 -0.432 . . . . 74.55 111.478 -179.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.426 ' O ' ' N ' ' B' ' 30' ' ' LEU . 35.4 m -109.9 115.34 29.63 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.924 -0.58 . . . . 74.41 109.714 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.477 ' HB3' HG23 ' B' ' 29' ' ' ILE . 1.1 p90 -144.88 171.54 14.29 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.063 0.458 . . . . 75.24 111.394 -179.207 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -88.2 153.4 21.26 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.867 -0.606 . . . . 73.22 110.651 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -108.96 139.1 44.29 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.923 0.392 . . . . 70.1 111.33 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.9 -56.0 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.902 -0.666 . . . . 74.52 112.303 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -106.33 134.53 19.74 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-O 120.564 0.221 . . . . 63.05 110.809 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.31 -29.22 6.42 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.473 2.115 . . . . 52.15 112.497 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -66.32 -36.34 82.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.134 -0.484 . . . . 73.14 111.071 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 6.9 m-70 -77.42 -44.48 28.97 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.233 -0.439 . . . . 74.11 110.734 -179.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.58 -31.63 65.38 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.239 -0.437 . . . . 53.33 110.267 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.13 -41.79 25.87 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.749 -0.738 . . . . 72.44 112.004 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -77.49 -27.63 51.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.75 0.309 . . . . 73.3 110.912 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.824 ' O ' HG23 ' B' ' 63' ' ' VAL . 10.7 mt -62.69 -46.63 87.28 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.951 0.405 . . . . 60.14 110.942 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 mp -59.35 -51.52 69.59 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.0 -0.545 . . . . 72.13 110.749 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -60.86 -35.32 76.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 52.41 110.618 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.5 -43.0 95.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 62.43 110.768 179.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.824 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.3 t -56.11 -32.56 34.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 115.861 -0.608 . . . . 53.41 111.085 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtp180 -60.58 -30.15 69.62 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.103 -0.499 . . . . 74.12 110.834 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -80.95 -0.02 37.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 73.03 111.558 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.465 HG23 ' HA ' ' B' ' 63' ' ' VAL . 23.8 t -80.42 104.25 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 CA-C-O 120.969 0.414 . . . . 74.32 110.59 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -53.65 119.27 4.71 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.941 -0.572 . . . . 70.54 110.994 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -24.0 19.72 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.77 -0.729 . . . . 74.01 112.782 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.596 HG13 ' O ' ' B' ' 7' ' ' GLU . 48.2 t -80.75 123.87 37.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-O 120.831 0.348 . . . . 75.03 111.019 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.6 -61.68 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 75.41 110.968 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -166.74 169.1 13.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.912 -0.585 . . . . 71.54 111.05 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.693 HG13 ' O ' ' B' ' 5' ' ' GLN . 21.9 t -121.5 140.43 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.106 -0.497 . . . . 72.14 111.15 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -135.38 127.99 30.79 Favored 'General case' 0 N--CA 1.453 -0.308 0 CA-C-N 116.389 -0.369 . . . . 71.41 111.307 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.405 ' NE ' HG11 ' B' ' 2' ' ' VAL . 9.6 ttt180 -65.39 109.18 2.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.213 -0.449 . . . . 73.22 110.824 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.5 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 21.9 t -86.26 158.8 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 CA-C-N 116.277 -0.419 . . . . 70.32 111.207 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.487 ' N ' HG12 ' B' ' 75' ' ' VAL . 0.8 OUTLIER -142.0 144.78 33.84 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 70.41 110.897 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.83 173.42 6.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.186 -0.461 . . . . 64.34 110.881 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.76 124.13 3.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.459 . . . . 72.03 111.107 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.163 -0.923 . . . . 72.31 111.106 179.983 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.895 0.379 . . . . 75.31 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.623 HG13 ' NE ' ' A' ' 74' ' ' ARG . 30.9 t -82.28 138.9 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.097 -0.501 . . . . 64.2 111.218 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.48 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -103.57 156.1 18.03 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.202 -0.454 . . . . 74.21 110.993 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.417 ' CG2' ' CG1' ' A' ' 72' ' ' VAL . 27.1 mt -138.8 136.96 43.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 CA-C-N 116.331 -0.395 . . . . 71.33 111.485 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -110.39 113.32 25.89 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.159 -0.473 . . . . 71.15 110.415 179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.456 HG13 HG22 ' A' ' 72' ' ' VAL . 21.6 t -109.42 112.8 42.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.867 0.365 . . . . 64.13 111.509 -179.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -89.68 126.72 35.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 72.24 110.468 179.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.74 ' HB1' HD13 ' A' ' 14' ' ' LEU . . . -159.41 166.83 30.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.851 0.357 . . . . 73.52 111.388 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.736 HD13 ' O ' ' A' ' 40' ' ' ARG . 4.0 mm? -56.01 141.55 39.46 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.166 -0.47 . . . . 53.54 110.825 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.458 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 8.8 p-10 -62.24 82.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 71.14 111.147 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.406 ' NH1' ' ND2' ' B' ' 28' ' ' ASN . 6.4 mtt-85 -153.46 125.67 7.99 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.193 -0.458 . . . . 74.23 110.866 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.872 ' CD2' HD11 ' A' ' 15' ' ' LEU . 10.3 t-80 -61.02 -19.4 61.3 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 72.33 110.888 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.23 -35.96 82.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.919 0.39 . . . . 71.35 110.62 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.74 HD13 ' HB1' ' A' ' 8' ' ' ALA . 72.1 mt -67.44 -58.54 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.051 -0.522 . . . . 72.12 110.873 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.872 HD11 ' CD2' ' A' ' 12' ' ' HIS . 4.6 pp -56.75 -33.75 66.87 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.04 -0.527 . . . . 73.23 110.525 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.689 ' N ' HD12 ' A' ' 15' ' ' LEU . 31.3 t -67.83 -47.46 68.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.039 -0.528 . . . . 64.41 110.528 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -61.06 -38.48 86.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.464 179.614 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.664 HG23 ' O ' ' A' ' 14' ' ' LEU . 28.5 t -69.96 -37.98 74.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.007 -0.542 . . . . 63.45 110.698 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.724 ' HA ' HD12 ' A' ' 22' ' ' LEU . 57.7 m -65.86 -37.55 86.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.971 -0.559 . . . . 72.25 110.5 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.2 ttt180 -59.91 -40.43 88.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.023 -0.535 . . . . 73.3 110.534 179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.69 -37.2 84.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.804 179.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.724 HD12 ' HA ' ' A' ' 19' ' ' THR . 26.0 mt -64.17 -52.82 57.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.955 -0.566 . . . . 75.54 110.682 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.26 -35.56 81.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 73.12 110.933 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -61.44 -29.42 69.94 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.097 -0.501 . . . . 72.31 110.79 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 27' ' ' VAL . 0.3 OUTLIER -98.32 15.6 24.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 72.53 111.233 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.16 31.18 19.63 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.787 0.327 . . . . 53.02 111.008 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 25' ' ' GLU . 28.1 t -84.33 102.54 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.294 -0.412 . . . . 63.02 111.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 19.1 m-80 -72.46 114.43 10.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 63.02 110.965 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -96.34 127.8 48.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 73.12 111.046 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 91.5 mt -75.14 -33.75 61.56 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 72.1 111.016 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 26.0 p -173.16 171.54 4.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 72.51 110.807 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.51 152.59 8.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.283 -0.417 . . . . 42.04 111.29 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.3 m -163.63 139.0 6.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.53 110.911 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.726 HG12 ' CB ' ' A' ' 44' ' ' SER . 8.1 m -130.99 135.91 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 116.399 -0.364 . . . . 74.4 111.435 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -136.65 144.78 44.19 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.22 110.923 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 61.8 p -59.57 117.85 5.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 71.24 111.106 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.688 ' OG ' HD11 ' A' ' 43' ' ' ILE . 1.5 t -67.89 -42.14 81.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 63.51 110.955 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.584 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -177.23 -101.59 0.15 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.693 -0.765 . . . . 40.34 112.599 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.535 ' O ' HG22 ' A' ' 41' ' ' VAL . 7.8 p-10 -100.04 110.59 22.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.896 0.379 . . . . 74.35 111.042 -179.843 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.736 ' O ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER 53.36 35.48 20.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.092 -0.504 . . . . 74.31 111.107 179.863 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.584 HG23 ' H ' ' A' ' 38' ' ' GLY . 0.0 OUTLIER -137.42 139.22 44.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 115.863 -0.608 . . . . 74.23 111.031 179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -133.22 122.93 24.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.967 0.413 . . . . 74.01 111.246 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.688 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.4 mt -89.81 109.29 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-N 116.029 -0.532 . . . . 70.43 111.022 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.726 ' CB ' HG12 ' A' ' 34' ' ' VAL . 4.3 m -98.01 140.75 31.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 73.14 110.843 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 mtp85 -129.49 117.24 20.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.276 -0.42 . . . . 43.44 110.734 179.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -113.14 125.59 54.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.302 -0.408 . . . . 64.33 111.169 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.4 m -109.87 122.17 46.91 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 116.037 -0.529 . . . . 74.21 110.71 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -150.78 171.12 17.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 74.22 111.081 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 119.06 21.24 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.095 -0.502 . . . . 64.54 110.944 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.7 mmm -149.97 165.85 31.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.916 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -134.6 25.8 3.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.707 -0.759 . . . . 74.22 112.601 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -106.5 99.63 25.63 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.556 0.217 . . . . 72.15 110.899 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -54.08 -41.88 71.77 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.395 2.063 . . . . 73.44 112.387 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -33.15 75.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.998 -0.546 . . . . 72.32 110.931 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 2.0 m80 -77.42 -42.48 35.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.111 -0.495 . . . . 71.35 110.7 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.4 tp -74.3 -32.63 62.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 75.0 110.128 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.56 -39.04 31.06 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.788 -0.72 . . . . 74.1 111.906 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -78.7 -30.5 46.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.713 0.292 . . . . 71.33 110.784 179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.864 ' O ' HG23 ' A' ' 63' ' ' VAL . 7.9 tt -64.11 -48.15 77.23 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.933 0.397 . . . . 71.53 110.917 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.66 -48.62 78.99 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.856 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -61.98 -39.92 93.82 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.193 -0.458 . . . . 75.44 110.603 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.12 -39.35 92.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.073 -0.512 . . . . 71.12 110.751 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.864 HG23 ' O ' ' A' ' 59' ' ' LEU . 19.8 t -56.97 -30.37 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.001 -0.545 . . . . 74.43 110.95 179.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp85 -60.11 -30.42 69.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 71.05 110.787 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 12.8 m-80 -78.99 -2.7 41.4 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.178 -0.464 . . . . 74.2 111.444 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.8 t -76.19 104.12 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 CA-C-O 120.88 0.372 . . . . 74.54 110.791 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.534 ' O ' HD22 ' A' ' 14' ' ' LEU . 3.4 tt0 -53.12 118.71 3.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.141 -0.481 . . . . 74.1 110.675 179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.19 -18.48 28.23 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.712 -0.756 . . . . 72.24 112.656 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.535 HG22 ' HB2' ' A' ' 8' ' ' ALA . 60.0 t -88.28 128.21 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 CA-C-O 120.81 0.338 . . . . 72.24 111.144 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -80.32 -55.52 4.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 63.24 111.328 -179.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -163.32 169.14 19.51 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.141 -0.481 . . . . 73.2 111.35 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG21 HG11 ' A' ' 63' ' ' VAL . 24.5 t -131.25 132.68 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.028 -0.533 . . . . 73.25 111.205 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.53 131.17 35.68 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-O 120.803 0.335 . . . . 63.23 111.298 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.623 ' NE ' HG13 ' A' ' 2' ' ' VAL . 33.3 ttt180 -68.17 121.33 15.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.439 . . . . 75.24 110.759 179.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.709 ' O ' HG23 ' A' ' 76' ' ' THR . 18.1 t -85.9 138.12 19.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.325 0 CA-C-N 116.346 -0.388 . . . . 75.21 111.264 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.709 HG23 ' O ' ' A' ' 75' ' ' VAL . 0.7 OUTLIER -170.08 -57.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.133 -0.485 . . . . 75.33 110.832 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 4.8 p -73.01 93.34 1.75 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.885 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -158.8 92.88 1.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.269 -0.423 . . . . 51.12 111.11 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.254 -0.879 . . . . 63.12 111.045 179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 60.6 mt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.855 0.359 . . . . 74.32 111.176 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.41 ' HA ' HG23 ' B' ' 76' ' ' THR . 19.3 t -82.24 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 71.32 111.308 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.659 ' HB3' ' HB ' ' B' ' 75' ' ' VAL . . . -124.69 171.15 10.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.135 -0.484 . . . . 72.13 110.927 179.817 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.581 HD11 ' CE1' ' B' ' 48' ' ' PHE . 21.7 mt -141.71 131.96 25.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-N 116.363 -0.381 . . . . 75.25 111.484 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -106.74 106.13 16.5 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 116.083 -0.508 . . . . 65.12 110.483 179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.46 HG13 HG22 ' B' ' 72' ' ' VAL . 21.0 t -102.57 112.88 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-O 120.925 0.393 . . . . 54.42 111.625 -179.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.487 ' O ' HG13 ' B' ' 69' ' ' VAL . 5.1 tt0 -95.84 134.71 38.48 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 116.073 -0.512 . . . . 75.13 110.693 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.669 ' HB1' HD21 ' B' ' 14' ' ' LEU . . . -159.39 162.36 35.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.327 -0.397 . . . . 75.53 111.263 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.615 ' O ' HD23 ' B' ' 14' ' ' LEU . 6.1 mt -58.87 136.87 57.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.115 -0.493 . . . . 73.32 110.949 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . 0.405 ' HB2' ' N ' ' B' ' 41' ' ' VAL . 13.9 t70 -61.15 86.44 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.881 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 5.9 mtp180 -132.03 149.1 52.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.244 -0.434 . . . . 62.53 110.909 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -71.23 -42.38 68.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 73.15 110.928 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.22 -32.86 63.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.14 110.886 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.669 HD21 ' HB1' ' B' ' 8' ' ' ALA . 10.2 tp -57.55 -46.65 83.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.235 -0.439 . . . . 70.11 110.826 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.727 HD13 HG21 ' B' ' 34' ' ' VAL . 33.6 tp -57.69 -47.22 82.96 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 73.21 110.516 179.742 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 20.7 m -63.03 -32.7 74.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.791 -0.64 . . . . 63.11 110.342 179.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.4 -46.42 80.09 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.98 -0.555 . . . . 73.14 110.437 179.581 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.436 HG23 ' O ' ' B' ' 14' ' ' LEU . 40.6 t -63.31 -46.95 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.96 -0.564 . . . . 75.1 110.496 179.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.455 HG23 ' NE2' ' A' ' 12' ' ' HIS . 21.7 m -66.76 -40.22 88.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.775 -0.648 . . . . 41.42 110.095 179.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -39.53 78.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.778 -0.646 . . . . 75.32 110.688 179.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -56.98 -44.56 82.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.081 -0.509 . . . . 70.35 110.599 179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.604 HD23 HD11 ' B' ' 59' ' ' LEU . 1.8 mt -74.02 -35.87 64.4 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.718 -0.674 . . . . 75.11 110.392 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.85 -28.73 69.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.944 -0.571 . . . . 75.2 111.065 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.11 -30.67 49.51 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.968 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -111.61 16.8 20.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 73.12 111.253 179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 ttpt 54.76 33.36 19.41 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.419 -0.355 . . . . 75.5 111.103 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 22' ' ' LEU . 61.1 t -59.52 89.0 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.342 -0.39 . . . . 53.34 110.551 179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . 0.406 ' ND2' ' NH1' ' A' ' 11' ' ' ARG . 13.2 t-20 -63.88 107.53 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 74.34 111.02 -179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.694 HD12 ' CD2' ' A' ' 12' ' ' HIS . 3.4 mt -96.24 135.32 30.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.882 -0.599 . . . . 75.34 110.264 179.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' B' ' 47' ' ' THR . 61.5 mt -74.56 -21.27 59.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.842 0.353 . . . . 74.53 110.45 179.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.446 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.7 OUTLIER -156.19 131.3 9.26 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.199 -0.455 . . . . 64.02 110.554 179.22 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.537 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -131.21 128.79 40.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 CA-C-N 116.09 -0.505 . . . . 74.31 110.606 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . . . . . . . . . 7.7 p -161.09 140.62 10.55 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-O 120.969 0.414 . . . . 63.14 111.671 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.727 HG21 HD13 ' B' ' 15' ' ' LEU . 9.8 p -131.1 135.02 60.65 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 CA-C-N 115.995 -0.548 . . . . 72.43 111.018 179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 2.8 t -136.64 153.97 50.77 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.238 -0.437 . . . . 74.23 111.043 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -60.65 121.51 12.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 73.42 110.821 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.09 -28.02 54.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.14 111.064 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.805 ' N ' HG23 ' B' ' 41' ' ' VAL . . . 167.44 -125.88 1.36 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.621 -0.8 . . . . 71.54 112.535 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -84.1 108.42 17.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 74.2 110.919 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mtp180 56.19 37.88 29.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 65.54 111.048 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.805 HG23 ' N ' ' B' ' 38' ' ' GLY . 1.4 m -137.34 142.69 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.006 -0.543 . . . . 72.23 111.161 179.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.05 126.63 28.82 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 44.34 111.047 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.407 HG23 ' O ' ' B' ' 43' ' ' ILE . 2.8 tt -112.14 126.49 69.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 CA-C-N 116.26 -0.427 . . . . 62.24 111.247 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 156.96 16.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.49 . . . . 61.43 110.666 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 1.5 ttm180 -138.15 117.91 13.17 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 116.315 -0.402 . . . . 75.41 110.461 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.629 ' HB3' HG21 ' B' ' 29' ' ' ILE . 61.8 m-85 -122.54 125.18 45.21 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 116.236 -0.438 . . . . 74.55 111.347 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.423 ' O ' ' N ' ' B' ' 30' ' ' LEU . 30.4 m -112.85 115.39 28.39 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 115.845 -0.616 . . . . 74.41 109.761 179.109 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.717 ' CZ ' HD11 ' B' ' 56' ' ' LEU . 1.0 OUTLIER -145.11 171.15 14.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.997 0.427 . . . . 75.24 111.635 -179.23 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -88.57 164.31 15.45 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.836 -0.62 . . . . 73.22 110.872 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 7.7 ttp -109.13 162.14 14.54 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.349 -0.387 . . . . 70.1 111.178 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.15 -70.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.815 -0.707 . . . . 74.52 112.376 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.01 100.82 30.43 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.613 0.244 . . . . 63.05 110.696 179.8 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -49.29 -25.3 9.66 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.613 2.209 . . . . 52.15 112.69 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.64 -44.35 96.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.939 0.4 . . . . 73.14 111.066 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . 0.529 ' NE2' HD12 ' B' ' 56' ' ' LEU . 2.3 p-80 -77.63 -40.7 41.04 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.188 -0.46 . . . . 74.11 110.46 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.717 HD11 ' CZ ' ' B' ' 48' ' ' PHE . 0.2 OUTLIER -64.46 -39.79 94.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.055 0.455 . . . . 53.33 109.869 178.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.46 -41.45 58.13 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.716 -0.754 . . . . 72.44 111.465 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.74 -33.34 73.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.716 0.293 . . . . 73.3 110.845 179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.877 ' O ' HG23 ' B' ' 63' ' ' VAL . 0.3 OUTLIER -63.91 -47.99 78.4 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.385 . . . . 60.14 110.958 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mt -58.41 -50.17 74.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.998 -0.546 . . . . 72.13 110.856 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -61.92 -36.81 82.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 52.41 110.645 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.48 -40.28 95.39 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.165 -0.47 . . . . 62.43 110.833 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.877 HG23 ' O ' ' B' ' 59' ' ' LEU . 16.7 t -57.27 -32.62 41.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.019 -0.537 . . . . 53.41 111.065 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 68.4 mtm180 -60.72 -27.95 68.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 74.12 110.806 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 26.5 m-80 -83.54 3.47 32.28 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.24 -0.436 . . . . 73.03 111.624 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.558 HG23 ' O ' ' B' ' 63' ' ' VAL . 21.9 t -81.5 104.21 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.53 0 CA-C-O 120.932 0.396 . . . . 74.32 110.727 179.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -53.94 120.11 5.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.987 -0.551 . . . . 70.54 110.852 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.438 ' HA2' HD12 ' B' ' 9' ' ' LEU . . . 110.11 -24.04 19.59 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.806 -0.711 . . . . 74.01 112.622 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.487 HG13 ' O ' ' B' ' 7' ' ' GLU . 45.5 t -82.17 122.58 37.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.797 0.332 . . . . 75.03 111.047 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.73 -60.81 2.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 75.41 110.946 -179.859 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -166.83 169.08 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.888 -0.596 . . . . 71.54 110.989 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.677 HG21 HG11 ' B' ' 63' ' ' VAL . 21.7 t -130.17 137.57 56.08 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 116.185 -0.461 . . . . 72.14 111.185 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -135.22 125.02 25.42 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.211 -0.45 . . . . 71.41 111.099 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 28.4 mtm180 -65.93 112.74 3.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 73.22 110.873 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.659 ' HB ' ' HB3' ' B' ' 3' ' ' ALA . 17.4 t -85.81 133.72 28.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 70.32 111.158 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.41 HG23 ' HA ' ' B' ' 2' ' ' VAL . 0.3 OUTLIER -163.35 -67.67 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.272 -0.422 . . . . 70.41 110.926 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 88.7 p -101.62 33.71 2.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 64.34 111.002 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -134.23 85.3 2.18 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.195 -0.457 . . . . 72.03 111.063 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.205 -0.902 . . . . 72.31 111.15 179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.41 ' N ' HD23 ' A' ' 1' ' ' LEU . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.794 0.331 . . . . 75.31 111.199 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.4 t -128.07 144.94 36.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 CA-C-N 116.208 -0.451 . . . . 64.2 111.197 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.58 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -99.57 162.25 13.13 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.264 -0.425 . . . . 74.21 110.986 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.666 HD11 ' CE2' ' A' ' 48' ' ' PHE . 18.0 mt -142.53 132.02 22.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.415 -0.357 . . . . 71.33 111.588 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.474 ' HB2' HG22 ' A' ' 75' ' ' VAL . 5.3 tt0 -106.37 108.45 19.97 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.09 -0.505 . . . . 71.15 110.504 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.446 HG13 HG22 ' A' ' 72' ' ' VAL . 18.5 t -104.24 112.93 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.434 0 CA-C-O 120.868 0.366 . . . . 64.13 111.617 -179.56 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.552 ' O ' HG13 ' A' ' 69' ' ' VAL . 3.7 mt-10 -92.72 125.69 37.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.113 -0.494 . . . . 72.24 110.564 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.696 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.41 157.0 29.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 73.52 111.386 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.725 ' CD1' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -52.05 151.57 3.63 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.219 -0.446 . . . . 53.54 110.742 179.822 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.453 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 31.7 p-10 -64.18 87.85 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 71.14 111.769 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.626 HH21 HD22 ' A' ' 9' ' ' LEU . 4.0 tpp180 -153.74 116.94 4.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 74.23 110.598 179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.658 ' ND1' HD12 ' B' ' 29' ' ' ILE . 2.0 t60 -53.34 -29.24 33.04 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.764 0.316 . . . . 72.33 110.85 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 ttt-85 -52.18 -30.17 25.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.355 -0.384 . . . . 71.35 110.839 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.876 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.0 mm? -67.54 -45.96 74.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.124 -0.489 . . . . 72.12 110.54 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.639 ' HG ' ' HB3' ' B' ' 32' ' ' ALA . 3.5 mm? -61.13 -46.68 89.59 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.801 -0.636 . . . . 73.23 110.643 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 45.0 t -63.61 -40.21 96.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.902 -0.59 . . . . 64.41 110.428 179.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.22 -41.78 96.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.011 -0.54 . . . . 74.11 110.6 179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.876 HG23 ' O ' ' A' ' 14' ' ' LEU . 39.5 t -68.3 -36.33 74.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.09 -0.505 . . . . 63.45 110.792 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.621 HG22 ' OG ' ' B' ' 16' ' ' SER . 65.9 m -68.42 -38.68 81.46 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.03 -0.532 . . . . 72.25 110.504 179.649 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.01 -40.45 97.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.938 -0.574 . . . . 73.3 110.665 179.717 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.63 -40.88 98.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 74.43 110.886 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.644 HD13 HG12 ' A' ' 29' ' ' ILE . 10.3 mt -66.26 -46.29 77.6 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.991 -0.549 . . . . 75.54 110.696 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.25 -33.07 75.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.207 -0.451 . . . . 73.12 110.858 179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -57.96 -29.49 65.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 72.31 110.722 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.411 ' O ' ' CG ' ' A' ' 26' ' ' LYS . 4.3 mp0 -109.95 28.41 8.62 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.165 -0.471 . . . . 72.53 110.941 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' CG ' ' O ' ' A' ' 25' ' ' GLU . 5.6 pttt 47.0 31.78 1.65 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.148 -0.478 . . . . 53.02 111.127 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.81 111.3 15.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.982 -0.554 . . . . 63.02 111.139 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 38.0 t30 -80.1 117.6 21.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 63.02 111.003 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.644 HG12 HD13 ' A' ' 22' ' ' LEU . 3.3 mp -96.34 131.86 42.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.12 111.008 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 13.3 mt -75.08 -33.5 61.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.336 -0.393 . . . . 72.1 111.167 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.652 ' OG ' HG23 ' B' ' 35' ' ' THR . 4.3 m -173.12 171.59 4.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 72.51 111.084 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -165.71 145.0 6.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.136 -0.484 . . . . 42.04 111.046 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.4 t -163.56 135.5 5.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.347 -0.388 . . . . 71.53 111.067 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.727 HG23 ' C ' ' A' ' 43' ' ' ILE . 12.3 p -131.06 140.11 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 116.14 -0.482 . . . . 74.4 111.351 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.6 t -136.57 139.82 42.45 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 116.192 -0.458 . . . . 73.22 110.869 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 72.9 p -68.29 115.56 7.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 71.24 110.963 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.457 ' HB3' HD11 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -67.91 -51.01 52.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.254 -0.43 . . . . 63.51 110.87 179.914 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.61 ' H ' HG23 ' A' ' 41' ' ' VAL . . . -129.95 -91.78 0.62 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.824 -0.703 . . . . 40.34 112.411 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -124.94 -73.01 0.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.783 0.325 . . . . 74.35 110.834 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 4.3 ttt85 -97.38 34.0 1.89 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.253 -0.43 . . . . 74.31 110.515 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.61 HG23 ' H ' ' A' ' 38' ' ' GLY . 2.5 m -137.43 111.43 8.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 115.753 -0.658 . . . . 74.23 111.375 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.453 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -111.83 119.38 38.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 74.01 111.009 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.727 ' C ' HG23 ' A' ' 34' ' ' VAL . 26.4 mt -89.87 116.66 31.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-N 116.148 -0.478 . . . . 70.43 111.225 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.496 ' OG ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -97.97 148.97 22.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.755 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.544 ' HD3' HG21 ' A' ' 75' ' ' VAL . 0.2 OUTLIER -140.45 117.17 10.94 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 116.183 -0.462 . . . . 43.44 110.579 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -118.32 143.69 46.42 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.17 -0.468 . . . . 64.33 111.153 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.6 m -124.83 128.0 48.04 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 115.997 -0.547 . . . . 74.21 110.6 179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.666 ' CE2' HD11 ' A' ' 4' ' ' ILE . 2.0 p90 -150.64 170.82 18.26 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.315 -0.402 . . . . 74.22 111.088 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -137.33 112.0 8.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-N 116.086 -0.506 . . . . 64.54 110.943 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -150.01 153.65 36.88 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.955 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -110.43 26.39 13.38 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.71 -0.757 . . . . 74.22 112.484 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -106.37 101.59 36.08 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 120.52 0.2 . . . . 72.15 110.853 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.3 Cg_endo -67.44 -37.47 17.3 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.389 2.06 . . . . 73.44 112.32 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -36.01 82.1 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.027 -0.533 . . . . 72.32 110.88 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -40.68 43.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.028 -0.533 . . . . 71.35 110.438 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.77 -32.84 72.88 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.169 -0.469 . . . . 75.0 109.902 179.09 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.37 -44.0 29.29 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.804 -0.713 . . . . 74.1 111.638 179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -69.37 -30.89 68.98 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.722 0.296 . . . . 71.33 110.693 179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.862 ' O ' HG23 ' A' ' 63' ' ' VAL . 0.4 OUTLIER -63.1 -49.88 72.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.341 -0.39 . . . . 71.53 110.86 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.15 -46.56 85.45 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.961 -0.563 . . . . 71.12 110.833 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -62.02 -39.22 91.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.44 110.743 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.07 97.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.031 -0.531 . . . . 71.12 110.809 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 59' ' ' LEU . 13.1 t -57.73 -29.98 36.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.883 179.771 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 17.3 mtt85 -61.42 -29.2 69.79 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 71.05 110.807 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 51.5 m-20 -80.68 -1.06 40.93 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 116.272 -0.422 . . . . 74.2 111.446 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 63' ' ' VAL . 22.4 t -76.11 104.11 4.03 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.961 0.41 . . . . 74.54 110.74 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.27 120.78 5.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.124 -0.489 . . . . 74.1 110.616 179.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.549 ' HA3' HD11 ' A' ' 9' ' ' LEU . . . 110.14 -23.14 21.7 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.678 -0.772 . . . . 72.24 112.513 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.696 HG22 ' HB2' ' A' ' 8' ' ' ALA . 38.4 t -87.13 123.51 40.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 120.845 0.355 . . . . 72.24 111.11 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -71.0 -54.4 11.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 63.24 111.076 -179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.79 169.03 13.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.982 -0.554 . . . . 73.2 111.084 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.526 HG21 ' CG1' ' A' ' 63' ' ' VAL . 21.7 t -131.39 137.07 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.158 -0.473 . . . . 73.25 111.279 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -135.39 127.83 30.47 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.282 -0.417 . . . . 63.23 111.324 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -67.32 113.51 5.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 75.24 110.763 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.58 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 1.4 t -85.84 171.27 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.081 -0.508 . . . . 75.21 110.871 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.548 ' H ' HG12 ' A' ' 75' ' ' VAL . 9.7 t -83.78 157.78 21.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.293 -0.412 . . . . 75.33 110.953 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.9 p -167.49 85.47 0.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.21 110.858 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.73 132.59 51.67 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.186 -0.461 . . . . 51.12 111.11 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.255 -0.878 . . . . 63.12 111.099 179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . . . . . . . . . 4.5 tp . . . . . 0 N--CA 1.487 1.393 0 CA-C-O 120.827 0.346 . . . . 74.32 111.152 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.25 149.11 4.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 71.32 111.33 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . . . . . . . . . . . -120.02 157.67 28.38 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.1 -0.5 . . . . 72.13 110.884 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.836 HD11 ' CE1' ' B' ' 48' ' ' PHE . 2.9 mp -137.34 132.06 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 CA-C-N 116.384 -0.371 . . . . 75.25 111.357 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -106.29 106.48 17.01 Favored 'General case' 0 N--CA 1.452 -0.348 0 CA-C-N 116.132 -0.486 . . . . 65.12 110.529 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.8 t -103.55 112.89 38.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.327 -0.397 . . . . 54.42 111.477 -179.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.571 ' O ' HG13 ' B' ' 69' ' ' VAL . 2.8 tp10 -94.13 139.24 31.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.222 -0.445 . . . . 75.13 110.724 179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.42 158.72 32.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.333 -0.394 . . . . 75.53 111.152 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.794 ' O ' HD12 ' B' ' 14' ' ' LEU . 0.7 OUTLIER -59.5 140.3 56.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.176 -0.466 . . . . 73.32 110.874 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -64.78 102.3 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 73.03 110.969 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 64.4 mtt-85 -153.39 169.19 23.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.182 -0.463 . . . . 62.53 110.845 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -98.92 31.29 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 73.15 110.831 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -140.37 -45.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.21 -0.45 . . . . 73.14 111.021 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.794 HD12 ' O ' ' B' ' 9' ' ' LEU . 73.8 mt -55.89 -39.77 72.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.021 -0.536 . . . . 70.11 110.882 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.676 ' HG ' HG21 ' B' ' 34' ' ' VAL . 9.6 mp -59.21 -55.36 35.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.109 -0.496 . . . . 73.21 110.358 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.621 ' OG ' HG22 ' A' ' 19' ' ' THR . 1.1 m -58.91 -31.01 68.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.827 -0.624 . . . . 63.11 110.197 179.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -63.79 -47.68 79.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.91 -0.587 . . . . 73.14 110.379 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 14' ' ' LEU . 47.4 t -64.93 -41.98 93.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.963 -0.562 . . . . 75.1 110.615 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.541 HG22 ' CE1' ' A' ' 12' ' ' HIS . 0.0 OUTLIER -68.52 -38.5 80.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.864 -0.607 . . . . 41.42 110.21 179.517 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.9 ttt180 -65.96 -40.26 91.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.849 -0.614 . . . . 75.32 110.707 179.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.35 91.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.008 -0.542 . . . . 70.35 110.579 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.446 ' CD2' HD11 ' B' ' 59' ' ' LEU . 68.1 mt -73.85 -33.55 64.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.836 -0.62 . . . . 75.11 110.613 179.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.35 -23.7 59.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.03 -0.532 . . . . 75.2 111.197 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -52.42 -30.96 32.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.393 -0.367 . . . . 74.53 111.055 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -111.52 18.45 19.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.12 111.176 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 12.3 mtpp 52.43 28.67 6.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.417 -0.356 . . . . 75.5 111.272 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 38.4 t -59.55 96.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.362 -0.381 . . . . 53.34 110.844 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 42.7 m-20 -64.0 100.45 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.776 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.658 HD12 ' ND1' ' A' ' 12' ' ' HIS . 16.3 mt -83.42 136.15 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.869 -0.605 . . . . 75.34 110.728 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.471 ' N ' ' O ' ' B' ' 47' ' ' THR . 91.3 mt -74.73 -21.47 59.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.288 -0.415 . . . . 74.53 111.194 -179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.621 ' H ' HG22 ' B' ' 29' ' ' ILE . 0.9 OUTLIER -160.3 131.09 5.57 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.96 0.41 . . . . 64.02 111.311 179.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.639 ' HB3' ' HG ' ' A' ' 15' ' ' LEU . . . -128.2 130.45 48.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.952 -0.567 . . . . 74.31 110.553 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.418 ' O ' ' N ' ' B' ' 45' ' ' ARG . 41.3 t -159.6 132.71 6.93 Favored 'General case' 0 C--N 1.332 -0.162 0 C-N-CA 120.828 -0.349 . . . . 63.14 111.509 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.676 HG21 ' HG ' ' B' ' 15' ' ' LEU . 11.5 p -131.06 126.67 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-N 116.16 -0.473 . . . . 72.43 111.308 179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.652 HG23 ' OG ' ' A' ' 31' ' ' SER . 78.7 m -136.55 152.77 50.85 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.137 -0.483 . . . . 74.23 110.921 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 16.7 p -84.08 136.86 33.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 73.42 110.906 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.606 ' OG ' HD11 ' B' ' 43' ' ' ILE . 0.2 OUTLIER -83.7 -32.4 25.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 74.14 110.807 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.09 -92.44 0.11 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 71.54 112.279 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -127.28 -69.72 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.739 0.304 . . . . 74.2 110.765 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 8.8 mmp_? -98.17 34.79 1.87 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 65.54 110.467 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.482 ' O ' HG13 ' B' ' 41' ' ' VAL . 13.8 p -137.4 119.93 19.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.4 0 CA-C-N 115.795 -0.639 . . . . 72.23 111.289 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -110.73 148.04 33.13 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.182 -0.463 . . . . 44.34 111.036 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.606 HD11 ' OG ' ' B' ' 37' ' ' SER . 29.0 mt -130.11 114.2 28.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 CA-C-N 116.226 -0.443 . . . . 62.24 111.374 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.04 151.63 20.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.693 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.458 ' NH1' HG11 ' B' ' 75' ' ' VAL . 8.5 mtp85 -138.69 117.31 12.17 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.487 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.586 ' CD1' HD13 ' B' ' 29' ' ' ILE . 71.1 m-85 -120.96 125.22 46.85 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.152 -0.476 . . . . 74.55 111.164 -179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.471 ' O ' ' N ' ' B' ' 30' ' ' LEU . 69.2 m -115.04 115.33 26.65 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.913 -0.585 . . . . 74.41 109.829 179.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.836 ' CE1' HD11 ' B' ' 4' ' ' ILE . 0.7 OUTLIER -145.78 171.32 14.94 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 121.023 0.44 . . . . 75.24 111.471 -179.472 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -88.43 159.86 17.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.853 -0.612 . . . . 73.22 110.608 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 1.9 ptp -109.04 151.8 25.88 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.281 -0.418 . . . . 70.1 111.249 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.98 -63.31 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.92 -0.657 . . . . 74.52 112.349 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -106.38 140.91 21.76 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 120.638 0.256 . . . . 63.05 110.78 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -76.76 -34.92 2.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.502 2.135 . . . . 52.15 112.489 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 34.1 mttm -65.84 -35.37 80.49 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.098 -0.501 . . . . 73.14 110.973 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -77.54 -43.72 31.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.756 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.21 -32.53 64.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.294 -0.412 . . . . 53.33 110.277 179.409 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.42 -39.94 29.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.689 -0.767 . . . . 72.44 111.921 179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 45.3 t-80 -77.71 -29.3 51.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.725 0.298 . . . . 73.3 110.881 179.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.835 ' O ' HG23 ' B' ' 63' ' ' VAL . 8.3 tt -63.72 -48.12 78.35 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.014 0.435 . . . . 60.14 110.917 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.37 -49.91 75.55 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.881 -0.6 . . . . 72.13 110.826 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.34 -37.41 83.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 52.41 110.565 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.32 -41.87 98.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.057 -0.519 . . . . 62.43 110.82 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.835 HG23 ' O ' ' B' ' 59' ' ' LEU . 20.8 t -57.12 -31.68 37.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.027 -0.533 . . . . 53.41 110.949 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 6.5 mtt180 -61.39 -28.69 69.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 74.12 110.857 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -80.4 -0.22 36.1 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.2 -0.455 . . . . 73.03 111.508 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 63' ' ' VAL . 25.1 t -77.4 104.2 5.17 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.5 0 CA-C-O 120.927 0.394 . . . . 74.32 110.633 179.69 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.417 ' O ' HD22 ' B' ' 14' ' ' LEU . 14.3 mt-10 -52.28 119.75 4.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.913 -0.585 . . . . 70.54 110.939 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.528 ' HA3' HD22 ' B' ' 14' ' ' LEU . . . 110.18 -24.18 19.09 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 74.01 112.742 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.571 HG13 ' O ' ' B' ' 7' ' ' GLU . 44.1 t -81.62 124.33 38.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 120.856 0.36 . . . . 75.03 110.988 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -68.42 -59.14 3.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 75.41 110.964 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -166.82 169.1 13.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.883 -0.599 . . . . 71.54 111.03 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.481 HG21 HG11 ' B' ' 63' ' ' VAL . 21.5 t -128.3 130.02 69.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-N 116.102 -0.499 . . . . 72.14 111.151 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -135.34 127.81 30.53 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.348 -0.387 . . . . 71.41 111.173 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.91 117.42 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 73.22 110.866 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.5 HG12 ' N ' ' B' ' 76' ' ' THR . 98.6 t -85.82 158.71 3.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 70.32 111.237 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.5 ' N ' HG12 ' B' ' 75' ' ' VAL . 11.3 m 67.5 98.16 0.05 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.973 -0.558 . . . . 70.41 111.005 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -99.1 36.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 64.34 110.857 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -125.44 164.0 21.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 72.03 111.017 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.219 -0.896 . . . . 72.31 111.111 179.986 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 30' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.485 1.313 0 CA-C-O 120.902 0.382 . . . . 75.31 111.183 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.4 t -82.27 149.13 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.091 -0.504 . . . . 64.2 111.258 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.479 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . . . -112.53 168.42 9.66 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 115.99 -0.55 . . . . 74.21 110.633 179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.518 HD12 ' CE2' ' A' ' 48' ' ' PHE . 79.6 mt -148.67 142.63 18.74 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.439 0 CA-C-N 116.323 -0.399 . . . . 71.33 111.168 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -112.34 130.09 56.07 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.07 -0.514 . . . . 71.15 110.605 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.458 HG13 HG22 ' A' ' 72' ' ' VAL . 18.7 t -118.41 112.66 39.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 CA-C-O 120.911 0.386 . . . . 64.13 111.323 -179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.514 ' O ' HG13 ' A' ' 69' ' ' VAL . 5.7 tt0 -89.23 128.7 35.85 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.054 -0.521 . . . . 72.24 110.526 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.731 ' HB1' ' HG ' ' A' ' 14' ' ' LEU . . . -159.49 163.74 35.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.392 -0.367 . . . . 73.52 111.309 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 30.3 mt -54.18 153.69 4.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 53.54 110.846 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.74 ' OD1' HG22 ' A' ' 36' ' ' THR . 30.3 t0 -65.43 77.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.259 -0.428 . . . . 71.14 111.132 -179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.8 mtp180 -153.5 125.91 8.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.745 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.903 ' ND1' HD12 ' B' ' 29' ' ' ILE . 30.3 t60 -57.54 -25.15 59.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.295 -0.411 . . . . 72.33 110.845 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.97 -35.57 61.95 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.934 0.397 . . . . 71.35 110.631 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.819 ' O ' HG23 ' A' ' 18' ' ' VAL . 3.9 mm? -65.76 -43.54 88.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 72.12 110.617 179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD11 ' HB ' ' A' ' 34' ' ' VAL . 3.5 mm? -62.41 -50.39 71.69 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.89 -0.595 . . . . 73.23 110.572 179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.7 p -61.33 -37.04 81.85 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.844 -0.616 . . . . 64.41 110.496 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.85 -43.19 93.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 74.11 110.611 179.688 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 14' ' ' LEU . 23.8 t -70.3 -34.61 59.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.029 -0.532 . . . . 63.45 110.665 179.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 68.3 m -69.26 -35.39 76.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 72.25 110.461 179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.6 ttt-85 -62.08 -40.08 94.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.044 -0.525 . . . . 73.3 110.62 179.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.83 90.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.002 -0.544 . . . . 74.43 110.985 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 27' ' ' VAL . 92.7 mt -64.3 -55.66 19.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.06 -0.518 . . . . 75.54 110.816 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.09 -32.08 73.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 73.12 110.984 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -59.53 -29.84 68.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.929 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -105.09 22.77 14.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.279 -0.419 . . . . 72.53 111.14 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.0 mptt 56.91 47.16 18.31 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.874 0.369 . . . . 53.02 110.939 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 22' ' ' LEU . 29.9 t -97.41 122.59 49.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 63.02 111.139 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 20.5 m-20 -82.24 123.04 28.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 63.02 110.797 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.583 HD12 HD23 ' B' ' 15' ' ' LEU . 36.0 mt -96.38 113.52 30.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 73.12 111.295 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 1' ' ' LEU . 11.1 mt -75.13 -29.9 60.66 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 72.1 110.819 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -173.27 166.13 4.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.429 . . . . 72.51 110.703 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -166.6 145.63 5.56 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.307 -0.406 . . . . 42.04 111.282 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' CB ' ' B' ' 33' ' ' SER . 91.2 p -163.78 136.97 5.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.338 -0.392 . . . . 71.53 111.182 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.481 HG12 ' O ' ' B' ' 32' ' ' ALA . 11.1 p -131.02 142.56 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 116.2 -0.454 . . . . 74.4 111.291 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 17.2 p -136.62 148.23 47.34 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.163 -0.471 . . . . 73.22 110.853 179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.74 HG22 ' OD1' ' A' ' 10' ' ' ASP . 22.5 p -73.0 110.01 6.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 71.24 110.926 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.735 ' OG ' HD11 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -56.69 -66.81 0.38 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.187 -0.46 . . . . 63.51 111.064 179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -148.64 -103.79 0.31 Allowed Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.67 -0.776 . . . . 40.34 112.54 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.578 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.5 t0 -100.25 110.71 22.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 74.35 111.041 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.2 mmt-85 58.55 38.08 25.39 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 74.31 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 39' ' ' ASP . 21.4 t -137.31 132.24 45.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.541 . . . . 74.23 111.145 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.538 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -131.01 116.03 17.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.271 -0.422 . . . . 74.01 111.211 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.735 HD11 ' OG ' ' A' ' 37' ' ' SER . 18.6 mt -89.82 109.88 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-N 116.15 -0.477 . . . . 70.43 110.962 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.01 151.51 20.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.14 111.144 -179.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 6.2 ttp180 -143.76 124.82 14.42 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.926 -0.579 . . . . 43.44 110.205 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.612 ' HE1' HG11 ' A' ' 18' ' ' VAL . 4.0 m-85 -124.9 131.08 53.48 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 120.937 0.399 . . . . 64.33 111.546 -179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 99.4 m -106.45 115.79 30.82 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.886 -0.597 . . . . 74.21 110.386 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.518 ' CE2' HD12 ' A' ' 4' ' ' ILE . 0.1 OUTLIER -150.68 158.92 44.72 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 74.22 111.219 -179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -88.66 163.8 15.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.901 -0.59 . . . . 64.54 110.749 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.554 ' HG3' HD12 ' A' ' 56' ' ' LEU . 4.8 mmt -148.74 154.7 39.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.948 0.404 . . . . 73.44 111.115 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -132.07 -42.96 0.17 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.819 -0.705 . . . . 74.22 112.388 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -101.83 143.29 26.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 120.63 0.252 . . . . 72.15 110.844 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.32 -31.52 5.76 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.579 2.186 . . . . 73.44 112.451 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.9 tptt -62.89 -31.6 72.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.086 -0.506 . . . . 72.32 110.987 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.754 ' O ' HD13 ' A' ' 59' ' ' LEU . 20.6 m80 -77.53 -44.38 28.86 Favored 'General case' 0 N--CA 1.453 -0.275 0 CA-C-N 116.244 -0.435 . . . . 71.35 110.681 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.554 HD12 ' HG3' ' A' ' 50' ' ' MET . 9.8 tt -71.3 -34.13 70.34 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.277 -0.42 . . . . 75.0 110.231 179.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -76.05 -38.57 34.9 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.761 -0.733 . . . . 74.1 111.904 179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 26.5 t-80 -75.9 -29.41 58.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.719 0.295 . . . . 71.33 110.889 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.82 ' O ' HG23 ' A' ' 63' ' ' VAL . 3.1 mp -61.46 -49.3 77.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.938 0.399 . . . . 71.53 110.913 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.9 mp -58.16 -45.43 87.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.97 -0.559 . . . . 71.12 110.862 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -61.75 -40.89 96.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 75.44 110.76 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.07 -42.67 99.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.104 -0.498 . . . . 71.12 110.822 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.82 HG23 ' O ' ' A' ' 59' ' ' LEU . 21.7 t -57.49 -29.77 34.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.007 -0.542 . . . . 74.43 110.88 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 56.0 mtp180 -60.74 -30.27 69.89 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 71.05 110.723 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 54.3 m-20 -76.75 -4.4 43.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.189 -0.459 . . . . 74.2 111.514 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.434 HG23 ' O ' ' A' ' 63' ' ' VAL . 29.8 t -77.64 104.17 5.37 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 CA-C-O 120.898 0.38 . . . . 74.54 110.642 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.608 ' O ' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -53.51 119.6 5.06 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.033 -0.53 . . . . 74.1 110.719 179.68 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.456 ' HA3' HD11 ' A' ' 14' ' ' LEU . . . 110.19 -21.72 24.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.76 . . . . 72.24 112.777 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.639 HG22 ' HB2' ' A' ' 8' ' ' ALA . 46.8 t -84.81 125.34 40.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 120.881 0.372 . . . . 72.24 111.08 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -74.31 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.05 -0.523 . . . . 63.24 111.433 -179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -163.63 169.21 18.9 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.135 -0.484 . . . . 73.2 111.247 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.55 HG21 HG11 ' A' ' 63' ' ' VAL . 24.1 t -128.85 134.93 63.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 CA-C-N 115.942 -0.572 . . . . 73.25 111.264 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.62 138.73 43.19 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 120.853 0.358 . . . . 63.23 111.322 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? -69.25 122.99 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.451 . . . . 75.24 110.79 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.573 ' O ' HG22 ' A' ' 76' ' ' THR . 77.7 t -85.61 157.86 3.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 75.21 111.148 -179.78 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.573 HG22 ' O ' ' A' ' 75' ' ' VAL . 11.4 t 47.96 -174.34 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.823 -0.626 . . . . 75.33 111.415 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.61 152.19 13.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 74.21 110.886 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . 59.77 109.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 51.12 111.153 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.266 -0.873 . . . . 63.12 111.07 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.453 ' H1 ' HD23 ' B' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.795 0.331 . . . . 74.32 111.188 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . 0.536 HG12 ' CD1' ' B' ' 4' ' ' ILE . 35.7 t -82.25 135.28 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 121.03 0.443 . . . . 71.32 111.336 -179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.787 ' C ' HD12 ' B' ' 4' ' ' ILE . . . -98.69 128.96 45.13 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.803 -0.635 . . . . 72.13 110.956 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.787 HD12 ' C ' ' B' ' 3' ' ' ALA . 1.7 mp -125.99 142.61 42.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.953 0.406 . . . . 75.25 111.215 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -115.47 127.46 55.34 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.929 -0.578 . . . . 65.12 110.375 179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.35 112.9 42.46 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.388 0 CA-C-O 120.887 0.375 . . . . 54.42 111.516 -179.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.567 ' O ' HG13 ' B' ' 69' ' ' VAL . 2.3 mp0 -92.13 137.31 32.47 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.13 -0.486 . . . . 75.13 110.634 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -159.41 157.36 30.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.797 0.332 . . . . 75.53 111.248 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . 0.768 ' O ' HD12 ' B' ' 14' ' ' LEU . 5.5 tp -57.98 143.45 43.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 73.32 110.908 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -61.32 101.06 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 73.03 110.935 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -150.24 174.44 12.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.421 . . . . 62.53 110.822 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -97.68 -31.02 12.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 73.15 110.875 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -78.7 -35.47 44.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.45 . . . . 73.14 110.965 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.768 HD12 ' O ' ' B' ' 9' ' ' LEU . 73.2 mt -60.81 -50.54 73.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.489 . . . . 70.11 110.866 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . 0.609 ' CD1' HG11 ' B' ' 34' ' ' VAL . 48.7 tp -57.67 -49.43 76.51 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.899 -0.591 . . . . 73.21 110.682 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 m -61.43 -32.72 72.69 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.928 -0.578 . . . . 63.11 110.502 179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -45.76 79.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.033 -0.53 . . . . 73.14 110.553 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.59 HG23 ' O ' ' B' ' 14' ' ' LEU . 21.3 t -63.73 -45.23 97.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.972 -0.558 . . . . 75.1 110.612 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.457 HG23 ' CE1' ' A' ' 12' ' ' HIS . 0.2 OUTLIER -68.64 -40.79 80.09 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.834 -0.621 . . . . 41.42 110.164 179.344 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.66 -35.96 75.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.806 -0.634 . . . . 75.32 110.719 179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -59.69 -52.9 63.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 70.35 110.692 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.554 ' CD2' HD11 ' B' ' 59' ' ' LEU . 19.3 mt -70.8 -32.54 69.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.797 -0.638 . . . . 75.11 110.621 179.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.85 -27.24 60.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.062 -0.517 . . . . 75.2 111.128 179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -56.76 -41.31 77.38 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.307 -0.406 . . . . 74.53 110.879 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.51 19.7 11.79 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.005 -0.543 . . . . 73.12 110.935 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mtmm 53.94 26.2 6.07 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.308 -0.406 . . . . 75.5 111.125 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 43.2 t -58.38 93.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.409 -0.36 . . . . 53.34 110.572 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -64.0 100.6 0.32 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.125 -0.489 . . . . 74.34 111.203 -179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.903 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.3 mt -92.53 132.54 36.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.087 -0.506 . . . . 75.34 110.284 179.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' B' ' 47' ' ' THR . 9.0 mt -74.55 -22.42 59.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.419 -0.355 . . . . 74.53 111.2 -179.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.405 ' H ' HG22 ' B' ' 29' ' ' ILE . 1.4 m -141.68 138.54 32.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.927 0.394 . . . . 64.02 111.242 179.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.481 ' O ' HG12 ' A' ' 34' ' ' VAL . . . -144.64 121.62 11.36 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.953 -0.567 . . . . 74.31 110.529 179.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.471 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.3 m -161.99 134.72 5.94 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 120.802 0.334 . . . . 63.14 111.574 -179.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.609 HG11 ' CD1' ' B' ' 15' ' ' LEU . 11.4 p -131.08 129.5 63.18 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 CA-C-N 116.248 -0.433 . . . . 72.43 111.234 179.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . . . . . . . . . 81.4 p -136.67 154.08 50.73 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.183 -0.462 . . . . 74.23 110.937 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 1.5 m -84.99 128.2 34.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.931 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . 0.413 ' HB2' HD11 ' B' ' 43' ' ' ILE . 2.4 t -69.75 -66.88 0.53 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.21 -0.45 . . . . 74.14 110.892 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.55 -73.93 0.52 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.808 -0.711 . . . . 71.54 112.429 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -141.06 -68.46 0.4 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.709 0.29 . . . . 74.2 110.891 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.58 37.96 1.24 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 65.54 110.613 179.785 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . . . . . . . . . 20.2 t -137.33 122.9 25.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-N 116.002 -0.545 . . . . 72.23 111.292 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -115.43 114.55 25.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 44.34 111.001 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.413 HD11 ' HB2' ' B' ' 37' ' ' SER . 30.6 mt -98.25 116.03 39.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.242 -0.435 . . . . 62.24 111.286 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -98.16 150.48 21.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 61.43 110.678 179.83 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' B' ' 33' ' ' SER . 8.1 mtt180 -133.53 117.19 16.83 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 116.266 -0.425 . . . . 75.41 110.388 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -130.45 125.29 34.07 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.048 0.451 . . . . 74.55 111.266 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.546 ' O ' HG22 ' B' ' 29' ' ' ILE . 64.6 m -117.62 115.29 24.79 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.822 -0.626 . . . . 74.41 109.981 179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.639 ' CE1' HD13 ' B' ' 4' ' ' ILE . 0.1 OUTLIER -128.04 171.26 12.03 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.958 0.408 . . . . 75.24 111.612 -179.328 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.24 165.83 14.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.805 -0.634 . . . . 73.22 110.587 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 5.9 ptm -108.85 148.54 30.45 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 120.958 0.408 . . . . 70.1 111.302 -179.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -162.89 -61.44 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.612 . . . . 74.52 112.392 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -106.51 99.9 27.22 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.504 0.193 . . . . 63.05 110.874 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.27 -31.43 46.46 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.484 2.123 . . . . 52.15 112.394 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -36.37 83.65 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.961 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 19.5 m170 -77.3 -38.67 50.14 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 116.176 -0.466 . . . . 74.11 110.576 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.4 mt -73.26 -30.97 63.82 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.236 -0.438 . . . . 53.33 110.047 179.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -75.11 -44.61 22.81 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.773 -0.727 . . . . 72.44 111.845 179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.17 -29.48 60.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.752 0.31 . . . . 73.3 110.785 179.668 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.859 ' O ' HG23 ' B' ' 63' ' ' VAL . 8.3 tt -66.57 -48.86 68.27 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.954 0.407 . . . . 60.14 110.824 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mt -58.76 -51.2 71.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.014 -0.539 . . . . 72.13 110.67 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -62.09 -36.29 81.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.474 . . . . 52.41 110.473 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -40.03 96.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.065 -0.516 . . . . 62.43 110.692 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.859 HG23 ' O ' ' B' ' 59' ' ' LEU . 21.4 t -55.74 -33.66 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.892 -0.595 . . . . 53.41 110.97 179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 86.1 mtt180 -62.21 -29.58 70.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 74.12 110.866 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 58.4 m-20 -82.7 2.26 34.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 73.03 111.653 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.463 HG23 ' HA ' ' B' ' 63' ' ' VAL . 23.1 t -81.08 104.15 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.526 0 CA-C-O 120.908 0.385 . . . . 74.32 110.713 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -53.58 119.75 5.28 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.009 -0.542 . . . . 70.54 110.926 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.02 -24.06 19.75 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.725 -0.75 . . . . 74.01 112.725 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.567 HG13 ' O ' ' B' ' 7' ' ' GLU . 58.8 t -79.99 122.71 35.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 120.843 0.354 . . . . 75.03 110.953 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -67.78 -60.88 2.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 75.41 110.97 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -166.79 169.16 13.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.932 -0.576 . . . . 71.54 111.171 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.476 ' CG2' HG11 ' B' ' 63' ' ' VAL . 21.9 t -122.06 129.62 75.24 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.449 0 CA-C-N 115.928 -0.578 . . . . 72.14 111.101 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.39 135.85 40.98 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.877 0.37 . . . . 71.41 111.253 -179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 4' ' ' ILE . 0.1 OUTLIER -69.97 120.27 15.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 73.22 110.972 179.803 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.581 ' O ' ' HB3' ' B' ' 3' ' ' ALA . 19.4 t -85.74 159.16 3.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 70.32 111.134 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.478 ' N ' HG12 ' B' ' 75' ' ' VAL . 11.9 p -143.8 151.7 40.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 70.41 110.915 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 36.8 p -118.1 -179.08 3.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 64.34 110.991 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -130.37 132.24 45.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 72.03 111.126 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.21 -0.9 . . . . 72.31 111.094 179.997 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.85 HD22 ' HB2' ' A' ' 79' ' ' ALA . 4.1 mp . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.854 0.359 . . . . 75.31 111.231 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.403 ' CG1' ' CG ' ' A' ' 74' ' ' ARG . 24.2 t -82.17 141.3 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 64.2 111.229 -179.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.794 ' O ' HD13 ' A' ' 4' ' ' ILE . . . -107.8 165.92 11.08 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 116.164 -0.471 . . . . 74.21 111.041 179.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.794 HD13 ' O ' ' A' ' 3' ' ' ALA . 13.0 mm -139.87 132.08 34.05 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.376 -0.374 . . . . 71.33 111.491 -179.942 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.481 ' HG3' HG21 ' A' ' 75' ' ' VAL . 1.0 OUTLIER -109.12 104.79 14.04 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 115.987 -0.552 . . . . 71.15 110.506 179.648 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.488 HG13 HG22 ' A' ' 72' ' ' VAL . 17.9 t -102.98 112.83 37.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 116.32 -0.4 . . . . 64.13 111.365 -179.689 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.602 ' O ' HG13 ' A' ' 69' ' ' VAL . 0.7 OUTLIER -90.02 132.86 35.15 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.24 110.846 179.804 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.559 ' HB2' HG22 ' A' ' 69' ' ' VAL . . . -159.3 166.88 30.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.371 -0.377 . . . . 73.52 111.201 179.977 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.0 mt -48.44 146.42 2.91 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.258 -0.428 . . . . 53.54 111.199 -179.947 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.671 ' HA ' ' HB2' ' A' ' 42' ' ' ALA . 35.9 t0 -64.96 82.17 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.097 -0.501 . . . . 71.14 111.226 -179.669 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.444 ' HB3' HD23 ' A' ' 14' ' ' LEU . 4.7 ttm180 -153.54 139.87 18.58 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.435 . . . . 74.23 110.882 179.791 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' HIS . . . . . 0.708 ' ND1' HD11 ' A' ' 15' ' ' LEU . 4.6 t60 -71.49 -9.69 58.59 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.464 -0.334 . . . . 72.33 110.995 179.849 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -75.21 -30.93 60.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.883 0.373 . . . . 71.35 110.785 179.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 ' O ' HG23 ' A' ' 18' ' ' VAL . 4.4 mm? -62.42 -56.87 14.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 72.12 110.722 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.76 HD22 ' HB3' ' B' ' 32' ' ' ALA . 1.0 OUTLIER -56.24 -34.04 65.99 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.922 -0.581 . . . . 73.23 110.72 179.916 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.437 ' HA ' HG21 ' B' ' 19' ' ' THR . 15.8 p -66.81 -46.61 74.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 64.41 110.496 179.698 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -61.8 -41.19 97.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.063 -0.517 . . . . 74.11 110.662 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 14' ' ' LEU . 25.2 t -66.6 -41.86 88.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.076 -0.511 . . . . 63.45 110.77 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.8 m -64.41 -37.23 86.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.014 -0.539 . . . . 72.25 110.556 179.741 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.7 tmt_? -60.94 -37.61 82.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.005 -0.543 . . . . 73.3 110.658 179.762 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.54 -40.84 89.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.999 -0.546 . . . . 74.43 110.958 179.865 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.652 HD23 HD11 ' A' ' 59' ' ' LEU . 54.7 mt -65.39 -46.18 81.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 75.54 110.818 179.904 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.14 -32.56 67.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.127 -0.488 . . . . 73.12 111.096 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -61.89 -32.76 73.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.485 . . . . 72.31 110.946 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.524 ' HB3' HG23 ' A' ' 27' ' ' VAL . 2.3 tt0 -100.29 19.46 16.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 72.53 111.189 179.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 56.92 34.8 25.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.456 -0.338 . . . . 53.02 111.082 179.854 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG23 ' HB3' ' A' ' 25' ' ' GLU . 23.5 t -82.34 115.36 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.279 -0.419 . . . . 63.02 111.036 179.936 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -74.88 111.58 10.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 63.02 110.921 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.497 HG12 HD13 ' A' ' 22' ' ' LEU . 3.2 mt -96.38 125.93 49.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 73.12 111.044 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.469 HD11 ' HB2' ' A' ' 49' ' ' GLU . 67.5 mt -75.11 -35.58 61.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 72.1 111.078 -179.979 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.555 ' OG ' HG23 ' B' ' 35' ' ' THR . 2.3 m -173.22 171.53 4.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.32 -0.4 . . . . 72.51 111.032 -179.905 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.677 ' HB2' ' CD1' ' A' ' 46' ' ' PHE . . . -166.19 149.12 7.21 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.164 -0.471 . . . . 42.04 111.164 179.91 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.59 130.4 3.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 71.53 110.975 179.887 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.722 HG12 ' HA ' ' A' ' 44' ' ' SER . 17.9 m -112.19 147.22 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 116.354 -0.385 . . . . 74.4 111.413 179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.2 t -136.53 134.05 37.12 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 73.22 110.941 179.891 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.521 HG22 ' OD2' ' A' ' 10' ' ' ASP . 17.2 p -72.09 102.47 3.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 71.24 111.118 -179.911 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.1 t -90.37 141.77 28.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.212 -0.449 . . . . 63.51 110.701 179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 65.42 -103.19 0.77 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 40.34 112.337 -179.944 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -142.78 -69.46 0.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 74.35 110.88 179.886 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.54 35.85 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 74.31 110.653 179.763 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.3 135.68 47.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.789 -0.642 . . . . 74.23 111.144 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 10' ' ' ASP . . . -126.33 120.15 29.15 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.201 -0.454 . . . . 74.01 111.159 -179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 25.8 mt -89.9 115.79 30.09 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.111 -0.495 . . . . 70.43 110.809 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.722 ' HA ' HG12 ' A' ' 34' ' ' VAL . 31.4 t -97.96 136.04 38.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.256 -0.429 . . . . 73.14 111.157 -179.708 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -118.42 141.5 48.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.11 -0.496 . . . . 43.44 110.593 179.785 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' PHE . . . . . 0.677 ' CD1' ' HB2' ' A' ' 32' ' ' ALA . 16.6 m-85 -147.86 125.52 11.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.994 0.426 . . . . 64.33 111.156 -179.948 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.7 m -110.94 130.03 55.71 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-N 115.942 -0.572 . . . . 74.21 110.53 179.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -150.76 169.74 20.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.352 -0.386 . . . . 74.22 111.165 -179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' HB2' HD11 ' A' ' 30' ' ' LEU . 3.8 tm-20 -137.31 116.9 12.92 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 116.084 -0.507 . . . . 64.54 111.06 179.874 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.531 ' HB2' HD11 ' A' ' 56' ' ' LEU . 0.8 OUTLIER -149.86 165.83 31.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.28 -0.418 . . . . 73.44 110.904 179.927 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -112.92 -32.44 2.23 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.704 -0.76 . . . . 74.22 112.667 180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -57.42 109.32 1.67 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.596 0.236 . . . . 72.15 110.968 -179.941 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -72.05 -33.76 9.2 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.464 2.11 . . . . 73.44 112.376 179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.4 -33.38 75.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.062 -0.517 . . . . 72.32 110.897 -179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 -77.44 -44.47 28.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 71.35 110.603 -179.817 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.531 HD11 ' HB2' ' A' ' 50' ' ' MET . 2.1 mp -71.13 -33.52 70.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 75.0 110.116 179.308 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -74.87 -40.3 36.59 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.707 -0.759 . . . . 74.1 111.84 179.385 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 71.8 t60 -73.44 -32.49 64.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.789 0.328 . . . . 71.33 110.773 179.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.881 ' O ' HG23 ' A' ' 63' ' ' VAL . 6.3 tp -62.72 -47.07 85.19 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.0 0.429 . . . . 71.53 110.944 179.934 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 87.1 mt -57.56 -48.94 77.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.953 -0.567 . . . . 71.12 110.852 179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -61.86 -39.53 92.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 75.44 110.684 179.838 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.9 -38.94 92.92 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.056 -0.52 . . . . 71.12 110.77 179.714 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 59' ' ' LEU . 17.3 t -57.92 -30.71 38.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.031 -0.531 . . . . 74.43 110.874 179.819 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 63.3 mtp180 -61.55 -27.23 68.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.05 110.951 179.862 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -86.63 9.05 19.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.325 -0.398 . . . . 74.2 111.586 -179.832 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.619 HG23 ' O ' ' A' ' 63' ' ' VAL . 21.7 t -85.39 104.21 13.09 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.511 0 CA-C-O 120.889 0.375 . . . . 74.54 110.858 179.666 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -55.27 120.64 7.36 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.035 -0.53 . . . . 74.1 110.63 179.735 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 110.1 -22.29 23.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 72.24 112.626 -179.813 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.602 HG13 ' O ' ' A' ' 7' ' ' GLU . 46.5 t -84.58 125.51 40.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 CA-C-O 120.815 0.341 . . . . 72.24 111.122 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -73.4 -56.91 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.489 . . . . 63.24 111.256 -179.872 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -166.76 169.16 13.63 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.98 -0.554 . . . . 73.2 110.962 -179.932 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.53 HG21 HG11 ' A' ' 63' ' ' VAL . 20.9 t -126.23 140.78 47.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.171 -0.468 . . . . 73.25 111.397 -179.878 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -135.4 127.0 28.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 116.156 -0.475 . . . . 63.23 110.874 179.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.403 ' CG ' ' CG1' ' A' ' 2' ' ' VAL . 5.8 ttm180 -69.13 109.3 3.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.243 -0.435 . . . . 75.24 111.025 -179.913 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.516 ' HB ' ' HB3' ' A' ' 3' ' ' ALA . 31.5 t -89.36 158.58 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.21 111.062 -179.987 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.491 ' N ' HG12 ' A' ' 75' ' ' VAL . 2.7 p -136.44 156.24 48.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 75.33 110.945 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.1 -169.05 3.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 74.21 110.86 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.57 123.22 44.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 51.12 111.062 -180.0 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.85 ' HB2' HD22 ' A' ' 1' ' ' LEU . . . . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.214 -0.898 . . . . 63.12 111.163 179.907 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' LEU . . . . . 0.711 ' O ' HD23 ' B' ' 1' ' ' LEU . 3.5 tt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.879 0.371 . . . . 74.32 111.181 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' VAL . . . . . . . . . . . . . 38.7 t -82.34 136.53 22.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 71.32 111.259 -179.829 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -105.51 156.54 18.12 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.066 -0.515 . . . . 72.13 111.006 179.835 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ILE . . . . . 0.408 ' CG2' ' CG1' ' B' ' 72' ' ' VAL . 58.0 mt -146.49 144.88 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 CA-C-N 116.366 -0.379 . . . . 75.25 111.481 -179.619 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.812 ' HG3' HG21 ' B' ' 75' ' ' VAL . 0.0 OUTLIER -118.93 122.5 42.4 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.106 -0.497 . . . . 65.12 110.617 179.746 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . . . . . . . . . 21.6 t -105.48 112.79 40.41 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 116.273 -0.421 . . . . 54.42 111.589 -179.464 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . 0.738 ' CA ' HD12 ' B' ' 43' ' ' ILE . 10.6 tt0 -90.48 130.17 36.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.235 -0.439 . . . . 75.13 110.587 179.659 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . 0.812 ' HB1' HD22 ' B' ' 14' ' ' LEU . . . -159.31 161.1 35.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.363 -0.381 . . . . 75.53 111.225 -179.893 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' LEU . . . . . . . . . . . . . 7.7 mt -55.11 144.13 24.93 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.774 179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -73.71 76.06 1.55 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 73.03 111.433 -179.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.694 ' HB2' HD12 ' B' ' 14' ' ' LEU . 13.6 mmt180 -126.21 140.23 52.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.375 -0.375 . . . . 62.53 110.626 179.514 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' HIS . . . . . . . . . . . . . 31.9 p-80 -53.8 -50.5 65.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.112 -0.494 . . . . 73.15 111.447 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.65 -37.32 81.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.316 -0.402 . . . . 73.14 111.175 -179.817 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' LEU . . . . . 0.837 HD21 ' HA3' ' B' ' 68' ' ' GLY . 0.2 OUTLIER -58.15 -39.66 79.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 70.11 111.045 -179.788 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LEU . . . . . . . . . . . . . 4.6 mp -59.77 -52.48 65.31 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 73.21 110.458 179.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 63.3 m -61.24 -32.48 72.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.837 -0.62 . . . . 63.11 110.295 179.472 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -65.14 -45.06 86.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.991 -0.55 . . . . 73.14 110.626 179.611 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.621 HG23 ' O ' ' B' ' 14' ' ' LEU . 42.1 t -65.18 -47.02 89.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.044 -0.526 . . . . 75.1 110.63 179.696 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.624 ' CG2' HD12 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -67.29 -36.02 80.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.863 -0.608 . . . . 41.42 110.185 179.485 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 ttm-85 -68.59 -39.66 80.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.913 -0.585 . . . . 75.32 110.631 179.788 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.69 -45.14 95.3 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.024 -0.535 . . . . 70.35 110.655 179.761 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.708 HD23 HD11 ' B' ' 59' ' ' LEU . 93.7 mt -73.65 -31.49 63.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.813 -0.63 . . . . 75.11 110.602 179.662 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' ALA . . . . . . . . . . . . . . . -77.78 -22.8 49.6 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.111 -0.495 . . . . 75.2 111.25 179.835 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -52.48 -34.47 49.37 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.386 -0.37 . . . . 74.53 111.017 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -109.3 19.78 19.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.486 . . . . 73.12 111.029 179.826 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mmpm? 54.02 27.56 7.64 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.387 -0.37 . . . . 75.5 111.218 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 41.0 t -58.38 92.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.323 -0.399 . . . . 53.34 110.729 179.699 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -63.96 100.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.041 -0.527 . . . . 74.34 110.882 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' ILE . . . . . 0.662 HD12 ' ND1' ' A' ' 12' ' ' HIS . 4.7 mt -84.63 136.95 21.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.798 -0.637 . . . . 75.34 110.22 179.526 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.837 HD11 ' HG2' ' B' ' 49' ' ' GLU . 8.7 mt -74.4 -25.25 59.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.923 0.392 . . . . 74.53 110.56 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' B' ' 46' ' ' PHE . 0.1 OUTLIER -151.0 135.19 16.8 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.16 -0.473 . . . . 64.02 110.51 179.254 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.76 ' HB3' HD22 ' A' ' 15' ' ' LEU . . . -133.73 126.73 31.32 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.148 -0.478 . . . . 74.31 110.578 -179.941 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 45' ' ' ARG . 1.2 m -161.82 141.57 10.11 Favored 'General case' 0 N--CA 1.457 -0.112 0 CA-C-O 120.977 0.417 . . . . 63.14 111.698 -179.776 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.1 p -131.09 134.57 61.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 CA-C-N 116.028 -0.533 . . . . 72.43 111.045 179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' THR . . . . . 0.555 HG23 ' OG ' ' A' ' 31' ' ' SER . 1.3 m -136.58 154.01 50.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 74.23 111.009 -179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' THR . . . . . . . . . . . . . 7.5 t -58.39 137.38 57.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 73.42 110.898 179.913 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' SER . . . . . . . . . . . . . 17.4 t -94.01 -29.5 15.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.14 111.022 -179.962 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . 0.733 ' N ' HG23 ' B' ' 41' ' ' VAL . . . 169.35 -116.59 0.66 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.576 -0.821 . . . . 71.54 112.529 -179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -91.33 106.6 18.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.814 0.34 . . . . 74.2 110.949 -179.855 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ARG . . . . . . . . . . . . . 12.8 ttm105 56.7 38.25 29.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 65.54 110.991 179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' VAL . . . . . 0.733 HG23 ' N ' ' B' ' 38' ' ' GLY . 2.7 m -137.27 145.84 28.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 72.23 111.122 179.836 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -139.3 130.24 26.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.301 -0.408 . . . . 44.34 111.049 179.984 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' ILE . . . . . 0.738 HD12 ' CA ' ' B' ' 7' ' ' GLU . 1.6 tp -111.46 130.36 65.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 CA-C-N 116.195 -0.457 . . . . 62.24 111.263 -179.937 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' SER . . . . . . . . . . . . . 15.0 m -97.94 158.16 15.69 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.168 -0.469 . . . . 61.43 110.53 179.818 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' B' ' 33' ' ' SER . 2.4 ttt-85 -138.93 117.71 12.31 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-N 116.289 -0.414 . . . . 75.41 110.342 179.894 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.639 ' HB3' HG21 ' B' ' 29' ' ' ILE . 88.8 m-85 -125.7 125.21 42.67 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.252 -0.431 . . . . 74.55 111.569 -179.56 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' THR . . . . . 0.439 ' O ' ' N ' ' B' ' 30' ' ' LEU . 48.4 m -112.18 115.06 28.23 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.866 -0.606 . . . . 74.41 109.553 179.005 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.415 ' HB3' HG23 ' B' ' 29' ' ' ILE . 2.7 p90 -138.0 171.42 14.44 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.099 0.476 . . . . 75.24 111.583 -179.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.837 ' HG2' HD11 ' B' ' 30' ' ' LEU . 67.2 mm-40 -88.16 165.39 15.12 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.696 -0.684 . . . . 73.22 110.737 -179.938 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.07 158.25 17.93 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.31 -0.404 . . . . 70.1 111.191 -179.834 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 51' ' ' GLY . . . . . . . . . . . . . . . -170.21 -57.62 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.839 -0.696 . . . . 74.52 112.547 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -106.38 100.95 32.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 120.63 0.253 . . . . 63.05 110.966 179.948 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 53' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.59 -33.81 60.23 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.503 2.135 . . . . 52.15 112.369 -179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 54' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.23 -38.26 89.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.073 -0.512 . . . . 73.14 110.972 -179.889 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 55' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -77.58 -42.19 36.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.053 -0.521 . . . . 74.11 110.717 -179.916 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 tt -71.46 -32.91 68.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 53.33 110.17 179.408 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 57' ' ' GLY . . . . . . . . . . . . . . . -77.11 -39.58 26.96 Favored Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.736 -0.745 . . . . 72.44 111.879 179.411 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 58' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.28 -26.65 52.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.689 0.281 . . . . 73.3 110.889 179.757 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 59' ' ' LEU . . . . . 0.824 ' O ' HG23 ' B' ' 63' ' ' VAL . 19.2 tp -62.28 -46.41 88.93 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.979 0.419 . . . . 60.14 110.997 -179.975 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . . . . . . . . . 43.1 mt -58.66 -50.76 72.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.947 -0.57 . . . . 72.13 110.88 -179.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 61' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -61.79 -36.49 81.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 52.41 110.536 179.764 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.73 -40.48 96.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.042 -0.527 . . . . 62.43 110.729 179.658 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 63' ' ' VAL . . . . . 0.824 HG23 ' O ' ' B' ' 59' ' ' LEU . 22.4 t -56.5 -30.8 32.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.046 -0.525 . . . . 53.41 111.003 179.725 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -30.88 69.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.47 . . . . 74.12 110.777 179.825 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 65' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -76.12 -5.2 45.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.467 -179.974 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 66' ' ' VAL . . . . . 0.483 HG23 ' O ' ' B' ' 63' ' ' VAL . 35.2 t -75.44 104.13 3.52 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 120.858 0.361 . . . . 74.32 110.601 179.761 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -51.87 119.52 4.35 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.993 -0.549 . . . . 70.54 110.866 179.845 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.837 ' HA3' HD21 ' B' ' 14' ' ' LEU . . . 110.12 -23.83 20.08 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.78 -0.724 . . . . 74.01 112.768 -179.917 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.576 HG22 ' HB2' ' B' ' 8' ' ' ALA . 65.3 t -80.42 118.8 28.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 CA-C-O 120.882 0.373 . . . . 75.03 111.05 179.974 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 70' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -72.15 -51.07 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.514 . . . . 75.41 111.179 -179.779 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 71' ' ' ASP . . . . . . . . . . . . . 2.7 t0 -166.7 169.15 13.75 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.181 -0.463 . . . . 71.54 111.23 -179.919 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 72' ' ' VAL . . . . . 0.537 HG21 HG11 ' B' ' 63' ' ' VAL . 21.5 t -131.43 136.42 57.49 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 CA-C-N 116.047 -0.524 . . . . 72.14 110.961 179.962 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -135.57 138.06 42.62 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.871 0.367 . . . . 71.41 111.565 -179.786 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 74' ' ' ARG . . . . . . . . . . . . . 50.4 mtm180 -71.85 117.91 14.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.066 -0.515 . . . . 73.22 110.565 179.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.812 HG21 ' HG3' ' B' ' 5' ' ' GLN . 48.7 t -93.34 160.08 2.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 121.027 0.441 . . . . 70.32 111.396 -179.501 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 76' ' ' THR . . . . . 0.522 ' N ' HG12 ' B' ' 75' ' ' VAL . 1.7 p 64.01 118.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.75 -0.659 . . . . 70.41 110.898 -179.866 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 77' ' ' SER . . . . . . . . . . . . . 90.7 p -113.27 -36.39 5.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 64.34 110.943 179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -75.04 75.29 2.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 72.03 111.141 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.026 0 CA-C-O 118.275 -0.869 . . . . 72.31 111.083 -179.942 . . . . . . . . 0 0 . 1 stop_ save_