data_1fu9_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1fu9 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.7 t80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.96 90.63 7.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.4 p -51.38 -41.79 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.37 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -57.96 -31.85 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 m -97.99 -22.7 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 72.42 50.53 0.19 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mt -149.95 163.67 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.15 156.71 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD1' HG21 ' A' ' 23' ' ' THR . 19.7 m-85 -139.23 115.93 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.39 -37.57 78.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -89.67 126.24 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.81 -37.36 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.2 -31.61 61.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 18' ' ' PHE . 6.1 m -66.27 -48.86 69.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.44 -33.41 72.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.9 -59.89 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.123 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.91 61.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.775 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.7 t60 -70.77 -61.4 1.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -63.44 -18.28 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.56 -65.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -150.1 19.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.977 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.12 -25.86 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.736 0.303 . . . . 0.0 111.056 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.764 0.316 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -84.94 100.81 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -38.79 80.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -61.53 -50.78 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -76.19 -25.24 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 74.15 42.51 0.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.3 mm -138.22 163.4 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 t -129.86 162.13 29.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CG ' HG21 ' A' ' 23' ' ' THR . 26.0 m-85 -135.86 136.23 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -74.96 -26.4 59.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -110.92 130.57 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.07 -35.12 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -55.22 -31.07 61.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.408 HG21 ' CG ' ' A' ' 18' ' ' PHE . 60.6 m -65.34 -49.49 69.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.686 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.7 -33.13 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.2 -61.42 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.208 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 -19.7 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.995 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.1 t60 -72.74 -57.99 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.0 -14.58 63.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.003 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -68.2 -64.44 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -149.37 18.15 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.939 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.53 -17.33 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.739 0.304 . . . . 0.0 111.166 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.803 0.335 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.05 109.84 18.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.8 p -64.92 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -67.4 -52.28 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.0 m -75.97 -27.38 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 73.73 53.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HG21 ' A' ' 16' ' ' ILE . 5.5 mt -149.02 163.39 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.42 155.15 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 18.7 m-85 -128.87 127.05 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.62 -31.27 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -103.97 127.06 51.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.86 -36.57 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -55.13 -30.55 60.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.633 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 5.5 m -64.53 -50.44 67.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.609 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -59.04 -37.87 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.556 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.1 -60.3 3.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.354 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.93 -19.55 62.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.992 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 35.4 t60 -73.72 -58.31 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -15.48 63.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.927 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.05 -64.56 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.44 16.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.422 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.5 -14.29 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.74 0.305 . . . . 0.0 111.273 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.443 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.788 0.327 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 t -90.24 90.91 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -53.92 -39.65 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.9 m -58.72 -35.39 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.13 -22.81 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 73.96 45.66 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -149.65 163.55 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.417 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 31.0 t -136.63 151.49 49.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -130.96 128.5 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -72.22 -30.68 65.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -90.24 121.13 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.08 -40.85 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -35.09 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -67.02 -47.52 71.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' N ' ' A' ' 10' ' ' TYR . 9.5 t80 -63.53 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -59.24 3.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.323 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.78 -21.02 60.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.904 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 30.2 t60 -70.07 -61.63 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -15.87 63.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -66.65 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.34 19.15 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -107.97 -26.1 10.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.847 0.356 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 t80 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 t -85.06 103.4 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 m -62.5 -51.99 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.92 -25.66 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.4 t0 74.56 39.49 0.44 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.1 mm -139.0 163.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.86 160.96 36.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.785 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -131.52 130.34 42.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.85 -29.75 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.8 126.88 52.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.75 -37.31 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -31.76 61.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -64.97 -49.85 68.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.605 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -59.67 -36.27 76.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -64.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.1 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.63 -18.93 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.16 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.5 t60 -74.01 -60.73 2.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -16.77 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 1.1 mp0 -66.09 -64.18 0.92 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.21 19.52 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -108.98 -23.57 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.987 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.79 0.329 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.87 111.32 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -66.03 -34.17 77.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 m -68.85 -53.05 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -74.91 -27.85 60.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 t70 74.48 46.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.3 mm -138.49 163.44 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.47 154.36 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 18.9 m-85 -129.77 128.78 43.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -62.0 -30.34 70.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.75 126.68 51.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.03 -37.2 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -55.16 -31.86 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.674 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 3.6 m -65.41 -49.18 70.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -59.14 -34.36 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.81 -57.59 6.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.156 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -20.54 62.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.831 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 40.1 t60 -71.81 -62.07 1.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.9 -18.71 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.15 -65.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.65 19.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.958 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.19 -27.55 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.339 . . . . 0.0 111.042 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 5.4 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.761 0.315 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -84.94 100.38 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 m -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.72 -50.03 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.9 m -77.43 -25.11 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 74.67 41.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -139.18 163.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.421 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 1.9 t -135.83 159.96 40.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -132.7 134.18 44.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -68.15 -27.23 66.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.73 130.35 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.31 -35.3 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -55.24 -34.04 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 m -63.49 -49.89 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.635 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.42 ' CE1' ' HE3' ' A' ' 28' ' ' LYS . 39.5 t80 -58.51 -37.36 75.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -59.62 4.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.273 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -20.89 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.842 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 42.2 t60 -71.38 -61.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -63.3 -19.13 64.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.85 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -62.55 -66.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.36 18.43 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.12 -24.62 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.725 0.298 . . . . 0.0 111.005 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 8.4 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.716 0.293 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.49 92.19 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.705 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -56.48 -41.81 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.24 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -41.34 80.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.44 -23.89 25.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 75.18 48.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mt -150.2 163.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.426 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -140.05 153.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 7.0 m-85 -137.14 116.63 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -37.2 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.92 125.28 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.51 -38.59 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -32.31 61.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.449 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 17.6 m -66.04 -48.84 69.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.45 -32.94 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.315 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.53 -20.8 61.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.969 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 38.5 t60 -72.34 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.687 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -64.14 -17.41 63.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.917 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -64.98 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.088 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.78 17.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.02 -22.69 12.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 0.0 110.935 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.4 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -85.0 91.3 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -51.27 -41.63 60.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.427 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -58.31 -45.67 87.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -82.31 -21.88 35.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.83 50.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.9 mt -150.29 163.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 160.76 32.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.436 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 25.9 m-85 -136.37 130.35 32.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -76.46 -30.13 57.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -100.76 130.91 46.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.2 t -60.5 -36.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.771 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -32.8 62.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.436 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 59.2 m -65.98 -48.67 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.46 -57.87 5.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.181 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.52 -19.33 63.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.041 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 45.2 t60 -71.29 -57.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -66.84 -18.14 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.899 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.76 -64.57 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.5 20.91 0.73 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.3 -22.8 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 10.0 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.694 0.283 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -84.99 89.9 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.501 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -42.13 46.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.402 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 m -58.18 -29.6 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 m -100.95 -20.36 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.88 50.4 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 110.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mt -149.93 163.68 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.94 162.15 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' A' ' 23' ' ' THR . 34.0 m-85 -138.73 131.44 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.52 -28.86 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -104.99 129.87 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.26 -36.6 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.808 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -31.54 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 18' ' ' PHE . 4.3 m -66.3 -48.73 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.788 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.69 -33.1 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.542 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.2 mp -65.5 -62.92 1.24 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.271 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -19.5 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.998 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 41.7 t60 -70.79 -55.4 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.67 -13.0 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -70.5 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -147.55 17.02 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.431 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.12 -17.69 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.758 0.313 . . . . 0.0 111.051 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.7 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 11.3 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.834 0.35 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.81 99.38 12.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -62.63 -34.9 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -62.29 -52.28 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.75 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 87.5 m -75.76 -29.26 58.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' CYS . 1.8 t70 83.04 43.73 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.048 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 14' ' ' CYS . 3.2 mp -145.7 163.96 11.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.786 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.415 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 1.7 t -134.7 167.53 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 12.0 m-85 -140.59 134.96 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.982 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -70.92 -26.53 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -107.8 129.52 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.24 -35.98 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -55.14 -34.32 63.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.691 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.439 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 1.3 m -64.27 -49.07 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.65 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -60.13 -33.48 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.25 -58.02 5.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.178 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -20.14 62.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 35.6 t60 -72.63 -61.22 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.96 63.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.928 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -64.51 -66.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.59 14.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.977 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.89 -11.04 14.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.239 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.4 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.751 0.31 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 t -84.97 91.41 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.656 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 p -52.55 -31.02 33.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -67.57 -36.41 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.8 m -93.21 -22.45 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.21 42.56 0.43 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.784 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 16' ' ' ILE . 5.3 mt -146.16 163.38 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -128.12 155.96 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.18 117.72 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -57.1 -36.41 70.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.026 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.47 123.89 36.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.21 -38.43 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -32.0 61.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -65.5 -49.6 68.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.648 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.95 -36.87 75.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.524 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.55 -57.37 6.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.105 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.55 -18.73 64.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.859 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.1 t60 -72.38 -59.11 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -66.47 -18.54 65.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.92 -63.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 21.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.13 -28.21 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.781 0.324 . . . . 0.0 111.085 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.929 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.95 89.53 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.625 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -50.63 -41.94 55.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -57.53 -36.7 71.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.0 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.7 m -93.08 -23.39 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.276 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 74.22 41.4 0.38 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.763 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -138.8 163.52 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.5 152.92 50.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.422 ' CD2' HG22 ' A' ' 23' ' ' THR . 14.1 m-85 -140.6 110.38 6.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -57.7 -38.81 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -84.97 126.05 33.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.0 -37.37 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -36.65 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.422 HG22 ' CD2' ' A' ' 18' ' ' PHE . 4.7 m -64.56 -48.03 76.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.629 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.12 -32.83 72.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.99 -60.73 2.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.101 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.94 -20.35 62.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.842 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -68.52 -57.84 5.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.47 -64.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 17.11 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.935 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.24 -5.29 13.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.249 . . . . 0.0 111.389 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 t80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -85.05 110.44 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -34.16 77.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.0 m -68.82 -52.94 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -75.11 -27.96 60.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 73.9 52.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -148.16 163.44 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.54 159.36 32.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -133.36 121.59 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.58 -33.97 70.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -100.68 126.18 47.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.75 -37.98 69.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -55.1 -31.46 61.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.689 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 m -65.72 -49.2 69.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.588 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.85 -33.59 70.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.519 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.79 -58.23 4.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.088 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -18.9 63.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.896 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 39.9 t60 -70.52 -56.74 5.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -67.79 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.99 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.01 -64.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.28 16.52 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.93 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.407 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.39 -12.98 14.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.627 0.251 . . . . 0.0 111.242 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.6 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.717 0.294 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.84 99.25 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.709 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -58.83 -39.07 80.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.4 m -61.36 -51.21 69.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -75.93 -25.42 55.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t0 75.37 40.0 0.34 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 mm -139.29 162.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 t -133.59 162.68 31.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 22.9 m-85 -137.11 131.87 33.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.67 -28.63 64.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -102.41 126.52 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.3 -37.69 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.2 -32.22 62.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 5.0 m -65.83 -48.79 70.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.641 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -60.05 -32.64 71.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.68 -56.16 8.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.57 -18.83 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.904 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 43.2 t60 -73.08 -59.74 2.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -15.92 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.971 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -65.46 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.064 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.57 15.76 1.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -107.54 -20.3 13.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 5.8 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.94 103.93 14.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.719 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 p -59.21 -37.5 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.018 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -63.79 -52.64 59.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -74.96 -26.03 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 73.67 51.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 HG23 ' A' ' 16' ' ' ILE . 4.7 mt -149.94 162.7 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 6.1 p -115.3 171.14 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -142.76 124.27 14.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.37 -33.33 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -106.45 127.53 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.0 t -58.99 -37.06 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -55.24 -30.77 60.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -65.47 -49.48 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -59.34 -34.52 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.503 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -61.25 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.67 -19.74 62.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.894 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 36.5 t60 -71.72 -58.64 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.712 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -15.66 63.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.73 19.32 0.8 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.963 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.08 -23.1 11.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 111.02 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.92 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.738 0.304 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -84.96 95.41 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -41.08 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -45.8 86.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.7 m -82.39 -24.7 34.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 76.25 53.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.431 HD12 HG23 ' A' ' 16' ' ' ILE . 5.5 mt -150.33 163.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.91 157.0 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.37 -25.47 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -107.37 130.74 54.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.43 -35.27 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -32.77 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.2 m -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.684 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -64.46 -34.22 77.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.597 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.4 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.609 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -22.37 42.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 37.3 t60 -74.81 -62.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -17.45 63.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.931 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 36.3 mt-30 -64.97 -65.04 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -148.74 17.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.449 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.35 -20.78 13.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 111.102 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.0 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.91 101.52 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -58.24 -37.99 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.258 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -52.21 62.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.2 m -75.92 -26.58 57.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 74.46 53.7 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.434 HG22 HD12 ' A' ' 16' ' ' ILE . 6.1 mt -149.96 163.47 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -133.1 153.43 51.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' SER . 9.9 m-85 -136.48 114.6 11.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -59.7 -31.41 69.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -89.5 122.48 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.4 t -58.66 -40.99 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -29.79 59.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 m -68.26 -48.73 64.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.63 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.46 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -56.52 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.151 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -20.47 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.827 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -70.87 -62.28 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.763 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -20.9 65.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.89 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.71 21.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.922 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -110.02 -27.78 9.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.754 0.311 . . . . 0.0 111.11 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 54.1 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.916 0.389 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -84.87 102.82 13.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -58.82 -37.47 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m -63.13 -48.36 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -80.26 -26.18 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.9 t70 74.25 51.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 16' ' ' ILE . 5.0 mt -150.8 162.31 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 4.2 p -113.71 169.78 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.805 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CD1' HG21 ' A' ' 23' ' ' THR . 83.3 m-85 -145.11 109.03 4.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.17 -41.32 88.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.67 124.43 36.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 t -57.74 -38.55 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -31.76 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.412 HG21 ' CD1' ' A' ' 18' ' ' PHE . 14.5 m -66.35 -48.67 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' A' ' 28' ' ' LYS . 2.6 t80 -60.37 -32.92 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.95 -60.01 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.166 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.03 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.93 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 33.9 t60 -68.87 -55.12 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.713 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -70.36 -13.05 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.032 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -70.55 -63.73 1.04 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.02 18.13 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.414 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -110.58 -13.09 14.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 15.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.87 111.89 20.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -65.73 -33.7 76.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -53.44 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.01 -28.23 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.075 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 74.19 50.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.6 mt -143.67 163.52 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.24 155.06 47.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 26.4 m-85 -129.37 129.32 44.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.65 -29.83 70.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.66 129.91 54.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 t -59.9 -35.37 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -55.19 -33.19 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 2.7 m -64.76 -49.07 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.751 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 5.7 t80 -60.59 -33.93 73.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -61.83 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.212 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -20.24 60.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.999 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 47.3 t60 -67.98 -54.89 15.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 15.4 mmtt -69.7 -13.11 62.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.01 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.43 -64.08 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.67 17.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -108.02 -18.88 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.545 -0.222 . . . . 1.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -93.89 135.01 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.376 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.22 53.52 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.65 -76.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 59.57 85.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -95.13 149.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.9 ptp -174.99 69.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.93 47.51 1.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.747 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -158.02 43.93 0.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.778 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -165.11 109.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.96 90.63 7.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.4 p -51.38 -41.79 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.37 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -57.96 -31.85 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 m -97.99 -22.7 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 72.42 50.53 0.19 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mt -149.95 163.67 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.15 156.71 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CD1' HG21 ' A' ' 23' ' ' THR . 19.7 m-85 -139.23 115.93 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.39 -37.57 78.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -89.67 126.24 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.81 -37.36 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.2 -31.61 61.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.421 HG21 ' CD1' ' A' ' 18' ' ' PHE . 6.1 m -66.27 -48.86 69.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.44 -33.41 72.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.9 -59.89 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.123 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.91 61.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.775 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.7 t60 -70.77 -61.4 1.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -63.44 -18.28 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.56 -65.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -150.1 19.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.977 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.12 -25.86 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.736 0.303 . . . . 0.0 111.056 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.3 t -68.3 152.78 44.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.32 30.49 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -87.0 55.7 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -60.54 154.21 56.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.568 2.179 . . . . 1.0 112.325 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.55 -0.22 . . . . 1.0 112.55 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.33 -173.18 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.08 93.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.56 -75.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.025 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.79 104.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.54 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 17.7 t -99.81 159.36 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.9 mmm 62.07 70.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -134.94 46.21 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.705 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.23 59.67 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -165.13 102.33 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -84.94 100.81 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -38.79 80.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -61.53 -50.78 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -76.19 -25.24 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.0 t70 74.15 42.51 0.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.3 mm -138.22 163.4 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.3 t -129.86 162.13 29.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.408 ' CG ' HG21 ' A' ' 23' ' ' THR . 26.0 m-85 -135.86 136.23 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -74.96 -26.4 59.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -110.92 130.57 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.07 -35.12 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -55.22 -31.07 61.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.408 HG21 ' CG ' ' A' ' 18' ' ' PHE . 60.6 m -65.34 -49.49 69.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.686 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.7 -33.13 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.4 mt -66.2 -61.42 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.208 179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 -19.7 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.995 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.1 t60 -72.74 -57.99 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.0 -14.58 63.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.003 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -68.2 -64.44 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -149.37 18.15 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.939 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.53 -17.33 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.739 0.304 . . . . 0.0 111.166 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 18.1 t -87.98 124.41 33.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.926 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -98.53 35.44 1.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -80.39 62.85 4.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -103.13 154.74 37.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.249 1.063 0 C-N-CA 122.542 2.161 . . . . 1.0 112.248 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.537 -0.225 . . . . 1.0 112.537 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -85.96 136.06 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.343 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.61 34.38 20.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.74 85.67 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 59.93 69.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -71.98 159.21 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 25.2 mtm -151.87 65.42 0.85 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.02 48.71 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.761 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.63 65.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -165.12 115.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.05 109.84 18.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.8 p -64.92 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -67.4 -52.28 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.0 m -75.97 -27.38 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 73.73 53.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.474 HD12 HG21 ' A' ' 16' ' ' ILE . 5.5 mt -149.02 163.39 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.42 155.15 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 18.7 m-85 -128.87 127.05 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.62 -31.27 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -103.97 127.06 51.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.86 -36.57 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -55.13 -30.55 60.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.633 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 5.5 m -64.53 -50.44 67.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.609 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -59.04 -37.87 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.556 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.1 -60.3 3.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.354 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.93 -19.55 62.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.992 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 35.4 t60 -73.72 -58.31 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -15.48 63.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.927 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.05 -64.56 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.44 16.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.422 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.5 -14.29 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.74 0.305 . . . . 0.0 111.273 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t -95.08 106.49 18.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -98.63 25.03 6.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.6 t30 55.3 62.81 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt 43.44 72.05 1.28 Allowed Pre-proline 0 N--CA 1.463 0.197 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.517 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.569 2.179 . . . . 1.0 112.323 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.456 -0.257 . . . . 1.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -132.67 135.59 45.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.13 95.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.87 68.72 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 59.75 165.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.03 151.6 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -134.99 68.28 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -94.4 48.13 1.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.762 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.96 43.79 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.443 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -165.0 109.49 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 t -90.24 90.91 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -53.92 -39.65 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.9 m -58.72 -35.39 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.13 -22.81 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 73.96 45.66 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -149.65 163.55 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.417 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 31.0 t -136.63 151.49 49.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -130.96 128.5 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -72.22 -30.68 65.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -90.24 121.13 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.08 -40.85 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -35.09 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -67.02 -47.52 71.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' N ' ' A' ' 10' ' ' TYR . 9.5 t80 -63.53 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -59.24 3.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.323 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.78 -21.02 60.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.904 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 30.2 t60 -70.07 -61.63 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -15.87 63.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -66.65 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.34 19.15 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -107.97 -26.1 10.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.847 0.356 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 t -75.39 107.06 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.49 27.5 2.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.487 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -132.85 86.22 2.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 0.0 110.891 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.55 76.06 35.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.563 2.176 . . . . 1.0 112.306 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 112.443 -0.263 . . . . 1.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 m -134.99 136.58 42.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.328 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.48 30.98 20.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.32 -76.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.94 97.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.64 150.32 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.8 ttm -105.18 61.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.208 0.528 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -134.97 47.47 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.58 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.02 53.73 0.7 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -165.23 108.92 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.763 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 t -85.06 103.4 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 m -62.5 -51.99 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.92 -25.66 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.4 t0 74.56 39.49 0.44 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.1 mm -139.0 163.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -133.86 160.96 36.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.785 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -131.52 130.34 42.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.85 -29.75 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.8 126.88 52.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.75 -37.31 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -31.76 61.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -64.97 -49.85 68.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.605 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -59.67 -36.27 76.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -64.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.1 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.63 -18.93 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.16 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.5 t60 -74.01 -60.73 2.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -16.77 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 1.1 mp0 -66.09 -64.18 0.92 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.21 19.52 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -108.98 -23.57 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 t -75.98 142.05 42.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 36.61 1.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -76.65 62.34 1.95 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.98 139.76 90.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.49 2.127 . . . . 1.0 112.313 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.44 -0.264 . . . . 1.0 112.44 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.76 -176.26 3.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.03 36.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.04 -75.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.54 103.7 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.509 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.71 159.0 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -148.82 65.55 1.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.809 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -95.07 48.79 1.19 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.718 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.421 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -151.65 67.32 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -165.06 115.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.806 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.87 111.32 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -66.03 -34.17 77.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 m -68.85 -53.05 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -74.91 -27.85 60.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.8 t70 74.48 46.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.3 mm -138.49 163.44 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.983 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.47 154.36 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 18.9 m-85 -129.77 128.78 43.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -62.0 -30.34 70.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.75 126.68 51.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.03 -37.2 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -55.16 -31.86 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.674 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 3.6 m -65.41 -49.18 70.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.421 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 3.9 t80 -59.14 -34.36 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.81 -57.59 6.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.156 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -20.54 62.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.831 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 40.1 t60 -71.81 -62.07 1.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.9 -18.71 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.15 -65.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.65 19.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.958 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.19 -27.55 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.339 . . . . 0.0 111.042 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.1 t -63.29 156.5 25.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -97.61 28.46 3.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -102.86 59.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt 60.2 159.17 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.547 2.165 . . . . 1.0 112.29 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.545 -0.222 . . . . 1.0 112.545 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -66.45 -170.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.71 93.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.47 136.53 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -43.84 164.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.564 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -82.24 152.79 4.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.2 mmt 60.33 72.52 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -95.25 44.21 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.353 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.83 43.72 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 5.4 t80 -165.21 106.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.805 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -84.94 100.38 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 m -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.72 -50.03 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.9 m -77.43 -25.11 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t0 74.67 41.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -139.18 163.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.421 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 1.9 t -135.83 159.96 40.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -132.7 134.18 44.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -68.15 -27.23 66.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.73 130.35 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.31 -35.3 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -55.24 -34.04 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 m -63.49 -49.89 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.635 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.42 ' CE1' ' HE3' ' A' ' 28' ' ' LYS . 39.5 t80 -58.51 -37.36 75.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -59.62 4.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.273 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -20.89 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.842 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 42.2 t60 -71.38 -61.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.42 ' HE3' ' CE1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -63.3 -19.13 64.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.85 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -62.55 -66.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.36 18.43 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.12 -24.62 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.725 0.298 . . . . 0.0 111.005 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 t -74.62 117.78 16.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 35.14 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -132.11 82.5 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.06 154.03 78.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.069 0 C-N-CA 122.606 2.204 . . . . 1.0 112.302 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.53 -0.228 . . . . 1.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -173.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.51 95.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -59.42 150.35 26.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -45.61 94.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.582 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 62.0 t -122.68 157.81 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 30.8 mmm 60.29 87.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -134.84 44.41 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.616 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.52 41.04 0.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.856 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 8.4 t80 -165.28 107.01 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.49 92.19 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.705 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -56.48 -41.81 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.24 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -41.34 80.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.44 -23.89 25.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 75.18 48.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mt -150.2 163.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.426 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -140.05 153.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.449 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 7.0 m-85 -137.14 116.63 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -37.2 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.92 125.28 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.51 -38.59 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -32.31 61.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.449 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 17.6 m -66.04 -48.84 69.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.45 -32.94 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.315 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.53 -20.8 61.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.969 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 38.5 t60 -72.34 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.687 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -64.14 -17.41 63.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.917 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -64.98 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.088 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.78 17.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.02 -22.69 12.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 0.0 110.935 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.4 t -83.04 153.65 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -134.86 28.46 3.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 68.3 m-20 -133.14 85.92 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -106.67 87.08 2.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.529 2.153 . . . . 1.0 112.301 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.491 -0.243 . . . . 1.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -62.03 -169.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.98 86.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -65.55 78.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 60.37 163.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.989 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 18.6 t -91.28 160.26 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.2 mpp? 65.88 79.18 0.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.9 mmtm -94.98 46.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.685 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.22 70.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.849 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -165.11 107.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -85.0 91.3 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -51.27 -41.63 60.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.427 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -58.31 -45.67 87.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -82.31 -21.88 35.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.83 50.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.9 mt -150.29 163.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 160.76 32.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.436 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 25.9 m-85 -136.37 130.35 32.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -76.46 -30.13 57.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -100.76 130.91 46.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.2 t -60.5 -36.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.771 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -32.8 62.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.436 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 59.2 m -65.98 -48.67 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.46 -57.87 5.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.181 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.52 -19.33 63.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.041 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 45.2 t60 -71.29 -57.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -66.84 -18.14 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.899 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.76 -64.57 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.5 20.91 0.73 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.3 -22.8 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.449 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 10.0 t -88.85 113.8 24.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -97.78 25.73 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 46.99 49.45 14.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.328 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.6 mtpt -97.03 149.36 35.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--O 1.249 1.058 0 C-N-CA 122.558 2.172 . . . . 1.0 112.293 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.47 -0.252 . . . . 1.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t 60.49 160.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.04 30.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.8 27.02 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 56.66 84.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.056 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.4 ' CG1' ' CG ' ' A' ' 8' ' ' LYS . 21.0 t -103.0 151.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.17 61.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.169 0.509 . . . . 0.0 110.724 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' CG ' ' CG1' ' A' ' 6' ' ' VAL . 6.6 mtmt -93.53 49.29 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.805 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.44 41.32 3.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.819 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -165.23 112.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -84.99 89.9 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.501 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -42.13 46.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.402 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 m -58.18 -29.6 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 m -100.95 -20.36 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.88 50.4 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 110.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mt -149.93 163.68 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.98 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.94 162.15 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.417 ' CD2' HG22 ' A' ' 23' ' ' THR . 34.0 m-85 -138.73 131.44 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.52 -28.86 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -104.99 129.87 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 46.6 t -62.26 -36.6 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.808 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -31.54 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.417 HG22 ' CD2' ' A' ' 18' ' ' PHE . 4.3 m -66.3 -48.73 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.788 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.69 -33.1 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.542 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.2 mp -65.5 -62.92 1.24 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.271 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -19.5 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.998 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.438 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 41.7 t60 -70.79 -55.4 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.67 -13.0 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 42.4 mm-40 -70.5 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.12 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -147.55 17.02 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.431 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.12 -17.69 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.758 0.313 . . . . 0.0 111.051 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.438 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.7 t -95.02 118.65 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -98.85 25.58 6.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 t30 47.6 49.71 15.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.4 . . . . 0.0 111.274 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.21 151.29 21.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.608 2.205 . . . . 1.0 112.347 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.544 -0.222 . . . . 1.0 112.544 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.45 175.44 9.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.59 93.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.66 -71.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 60.59 162.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 29.2 t -63.13 158.21 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.4 ptm -105.15 61.67 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.193 0.521 . . . . 0.0 110.706 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -95.02 49.35 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.802 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.422 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -163.57 54.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.899 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 11.3 t80 -165.08 108.35 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.674 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.81 99.38 12.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -62.63 -34.9 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -62.29 -52.28 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.75 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HB3' ' CD1' ' A' ' 16' ' ' ILE . 87.5 m -75.76 -29.26 58.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' CYS . 1.8 t70 83.04 43.73 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.048 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.462 ' CD1' ' HB3' ' A' ' 14' ' ' CYS . 3.2 mp -145.7 163.96 11.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.786 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.415 ' HB2' ' CD2' ' A' ' 10' ' ' TYR . 1.7 t -134.7 167.53 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 12.0 m-85 -140.59 134.96 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.982 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -70.92 -26.53 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -107.8 129.52 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.24 -35.98 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -55.14 -34.32 63.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.691 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.439 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 1.3 m -64.27 -49.07 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.65 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.422 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 6.6 t80 -60.13 -33.48 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.7 mp -67.25 -58.02 5.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.178 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -20.14 62.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 35.6 t60 -72.63 -61.22 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.96 63.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.928 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 mm-40 -64.51 -66.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.124 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -144.59 14.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.977 -179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.89 -11.04 14.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.239 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.408 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.4 t -94.99 156.38 16.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 28.37 4.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.73 79.02 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.58 85.39 0.18 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.25 1.094 0 C-N-CA 122.545 2.163 . . . . 1.0 112.322 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.519 -0.232 . . . . 1.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -77.32 156.34 31.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.84 31.61 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.01 81.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 62.92 145.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.22 150.14 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.3 mtm -134.98 68.49 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -95.11 48.22 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.723 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 52.97 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.417 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 0.4 OUTLIER -165.09 109.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 t -84.97 91.41 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.656 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 p -52.55 -31.02 33.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -67.57 -36.41 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.8 m -93.21 -22.45 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.21 42.56 0.43 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.784 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.478 HG22 HD13 ' A' ' 16' ' ' ILE . 5.3 mt -146.16 163.38 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.417 ' HB3' ' CD2' ' A' ' 10' ' ' TYR . 0.1 OUTLIER -128.12 155.96 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.18 117.72 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -57.1 -36.41 70.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.026 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.47 123.89 36.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.21 -38.43 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -32.0 61.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -65.5 -49.6 68.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.648 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.95 -36.87 75.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.524 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.55 -57.37 6.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.105 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.55 -18.73 64.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.859 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.1 t60 -72.38 -59.11 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 38.6 mmtm -66.47 -18.54 65.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.92 -63.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 21.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.13 -28.21 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.781 0.324 . . . . 0.0 111.085 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.4 t -65.97 113.95 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 27.43 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.73 75.98 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.5 mttp 61.5 154.24 0.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.54 2.16 . . . . 1.0 112.3 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.53 -0.228 . . . . 1.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -174.11 -170.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.6 37.25 19.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.68 106.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -43.71 96.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.626 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.7 p -75.22 160.28 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.9 ttp 62.49 71.04 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.928 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.58 47.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.703 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 48.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -165.12 108.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.95 89.53 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.625 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -50.63 -41.94 55.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -57.53 -36.7 71.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.0 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.7 m -93.08 -23.39 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.276 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 74.22 41.4 0.38 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.763 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -138.8 163.52 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -131.5 152.92 50.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.422 ' CD2' HG22 ' A' ' 23' ' ' THR . 14.1 m-85 -140.6 110.38 6.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -57.7 -38.81 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -84.97 126.05 33.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -61.0 -37.37 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -36.65 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.422 HG22 ' CD2' ' A' ' 18' ' ' PHE . 4.7 m -64.56 -48.03 76.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.629 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.12 -32.83 72.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 8.4 mp -66.99 -60.73 2.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.101 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.94 -20.35 62.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.842 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -68.52 -57.84 5.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.47 -64.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 17.11 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.935 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -113.24 -5.29 13.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.249 . . . . 0.0 111.389 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 t -93.56 154.43 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -97.63 29.94 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -147.97 92.89 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.61 55.32 0.59 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.668 2.245 . . . . 1.0 112.386 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.534 -0.226 . . . . 1.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -60.74 150.35 32.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.27 53.61 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.61 84.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 63.49 127.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -64.02 159.19 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -105.12 61.5 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.233 0.539 . . . . 0.0 110.779 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.7 pttt -140.43 46.59 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.529 179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 74.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -165.03 120.16 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -85.05 110.44 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -34.16 77.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.0 m -68.82 -52.94 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -75.11 -27.96 60.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 73.9 52.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.0 mt -148.16 163.44 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -125.54 159.36 32.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -133.36 121.59 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.58 -33.97 70.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -100.68 126.18 47.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.75 -37.98 69.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -55.1 -31.46 61.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.689 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 m -65.72 -49.2 69.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.588 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.85 -33.59 70.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.519 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.79 -58.23 4.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.088 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -18.9 63.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.896 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 39.9 t60 -70.52 -56.74 5.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -67.79 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.99 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.01 -64.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.28 16.52 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.93 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.407 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.39 -12.98 14.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.627 0.251 . . . . 0.0 111.242 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.6 t -95.01 142.26 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -97.23 34.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -152.72 78.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.933 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -107.98 140.84 22.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.457 2.104 . . . . 1.0 112.245 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.472 -0.251 . . . . 1.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -131.68 -171.79 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.77 30.27 19.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 59.66 91.96 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 49.54 96.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.292 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 31.3 t -66.56 151.37 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.3 ptt? -170.88 68.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.76 48.09 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.668 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 65.26 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -165.14 109.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.733 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.84 99.25 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.709 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -58.83 -39.07 80.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.403 ' CG2' ' ND2' ' A' ' 34' ' ' ASN . 75.4 m -61.36 -51.21 69.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -75.93 -25.42 55.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t0 75.37 40.0 0.34 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.6 mm -139.29 162.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.1 t -133.59 162.68 31.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 22.9 m-85 -137.11 131.87 33.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.67 -28.63 64.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -102.41 126.52 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.3 -37.69 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.2 -32.22 62.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 5.0 m -65.83 -48.79 70.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.641 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -60.05 -32.64 71.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.68 -56.16 8.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.57 -18.83 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.904 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.428 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 43.2 t60 -73.08 -59.74 2.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -15.92 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.971 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -65.46 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.064 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.57 15.76 1.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -107.54 -20.3 13.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.428 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t -89.78 159.35 17.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -134.75 26.22 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.403 ' ND2' ' CG2' ' A' ' 13' ' ' THR . 9.4 t-20 -77.96 62.26 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -60.31 152.05 65.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.249 1.048 0 C-N-CA 122.515 2.143 . . . . 1.0 112.295 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.531 -0.228 . . . . 1.0 112.531 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -131.45 -170.21 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.65 33.44 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.26 -32.89 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 63.27 123.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.2 p -59.89 159.27 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.6 ptp -172.28 66.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.889 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -95.04 48.64 1.18 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.39 54.69 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.431 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 5.8 t80 -165.06 119.49 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.94 103.93 14.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.719 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 p -59.21 -37.5 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.018 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -63.79 -52.64 59.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -74.96 -26.03 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 73.67 51.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.451 HD11 HG23 ' A' ' 16' ' ' ILE . 4.7 mt -149.94 162.7 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.431 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 6.1 p -115.3 171.14 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -142.76 124.27 14.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.37 -33.33 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -106.45 127.53 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.0 t -58.99 -37.06 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -55.24 -30.77 60.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -65.47 -49.48 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -59.34 -34.52 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.503 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -61.25 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.67 -19.74 62.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.894 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.416 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 36.5 t60 -71.72 -58.64 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.712 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -15.66 63.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.73 19.32 0.8 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.963 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.416 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.08 -23.1 11.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 111.02 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.8 t -75.16 139.84 42.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -101.89 37.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -90.63 51.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? 60.13 85.68 0.17 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.249 1.073 0 C-N-CA 122.561 2.174 . . . . 1.0 112.312 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 112.507 -0.237 . . . . 1.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p 58.6 -172.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.76 0.314 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.13 93.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.67 176.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 60.87 59.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.4 t -111.3 158.95 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -134.96 65.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -94.97 49.39 1.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.631 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' HA ' ' CD1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -96.96 41.06 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.802 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -147.57 100.16 3.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.735 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -84.96 95.41 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -41.08 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -45.8 86.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.7 m -82.39 -24.7 34.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 76.25 53.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.431 HD12 HG23 ' A' ' 16' ' ' ILE . 5.5 mt -150.33 163.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.91 157.0 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.954 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.37 -25.47 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -107.37 130.74 54.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.43 -35.27 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -32.77 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 17.2 m -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.684 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.417 ' CD1' ' HA ' ' A' ' 9' ' ' LYS . 18.3 t80 -64.46 -34.22 77.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.597 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 74.2 mt -59.4 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.609 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -22.37 42.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 37.3 t60 -74.81 -62.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -17.45 63.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.931 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.418 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 36.3 mt-30 -64.97 -65.04 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.418 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -148.74 17.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.449 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.35 -20.78 13.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 111.102 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.0 t -84.49 153.4 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -99.37 29.88 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -117.62 69.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? 43.4 70.07 2.03 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.471 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.06 0 C-N-CA 122.563 2.175 . . . . 1.0 112.289 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.459 -0.257 . . . . 1.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.66 -176.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.328 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.03 80.9 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.21 -61.78 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 60.09 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.1 p -61.41 159.35 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.34 69.27 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.992 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.18 45.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.647 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.39 41.5 28.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.059 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -165.26 113.49 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.91 101.52 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -58.24 -37.99 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.258 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -52.21 62.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.2 m -75.92 -26.58 57.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 74.46 53.7 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.434 HG22 HD12 ' A' ' 16' ' ' ILE . 6.1 mt -149.96 163.47 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.404 ' O ' ' CD1' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -133.1 153.43 51.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' SER . 9.9 m-85 -136.48 114.6 11.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -59.7 -31.41 69.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -89.5 122.48 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.4 t -58.66 -40.99 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -29.79 59.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 m -68.26 -48.73 64.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.63 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.46 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -56.52 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.151 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -20.47 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.827 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.412 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -70.87 -62.28 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.763 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -20.9 65.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.89 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.71 21.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.922 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.412 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -110.02 -27.78 9.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.754 0.311 . . . . 0.0 111.11 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -62.81 132.17 51.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -98.32 35.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -157.97 86.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.85 81.81 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.604 2.203 . . . . 1.0 112.268 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.461 -0.256 . . . . 1.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.81 171.84 10.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.67 36.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.29 -74.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 61.29 114.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -66.97 149.54 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.4 mmm -151.05 68.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -95.09 48.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.671 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 64.5 mmtt 57.77 42.54 23.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.413 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 54.1 t80 -118.35 120.88 38.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.774 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -84.87 102.82 13.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -58.82 -37.47 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m -63.13 -48.36 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -80.26 -26.18 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.9 t70 74.25 51.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.471 HG22 HD12 ' A' ' 16' ' ' ILE . 5.0 mt -150.8 162.31 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 4.2 p -113.71 169.78 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.805 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.412 ' CD1' HG21 ' A' ' 23' ' ' THR . 83.3 m-85 -145.11 109.03 4.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.17 -41.32 88.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.67 124.43 36.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 t -57.74 -38.55 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -31.76 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.412 HG21 ' CD1' ' A' ' 18' ' ' PHE . 14.5 m -66.35 -48.67 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.416 ' CE2' ' HE3' ' A' ' 28' ' ' LYS . 2.6 t80 -60.37 -32.92 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 9.7 mt -67.95 -60.01 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.166 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.03 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.93 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 33.9 t60 -68.87 -55.12 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.713 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE3' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -70.36 -13.05 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.032 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -70.55 -63.73 1.04 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.02 18.13 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.414 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -110.58 -13.09 14.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.419 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 15.2 t -95.06 157.97 15.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -97.47 27.86 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -107.15 73.56 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 43.7 62.58 9.08 Favored Pre-proline 0 N--CA 1.463 0.197 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.449 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--O 1.248 0.998 0 C-N-CA 122.608 2.205 . . . . 1.0 112.296 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.534 -0.227 . . . . 1.0 112.534 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -131.27 172.15 12.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.29 52.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.07 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 48.28 91.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.26 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.9 t -107.0 154.52 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 15.9 mtm 60.08 68.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -95.13 48.22 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.719 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.34 57.71 2.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.745 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -165.05 120.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.87 111.89 20.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -65.73 -33.7 76.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -53.44 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.01 -28.23 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.075 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 74.19 50.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.6 mt -143.67 163.52 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -131.24 155.06 47.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 26.4 m-85 -129.37 129.32 44.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.65 -29.83 70.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.66 129.91 54.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 t -59.9 -35.37 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -55.19 -33.19 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 2.7 m -64.76 -49.07 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.751 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.4 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 5.7 t80 -60.59 -33.93 73.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -61.83 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.212 179.522 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -20.24 60.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.999 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 47.3 t60 -67.98 -54.89 15.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.4 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 15.4 mmtt -69.7 -13.11 62.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.01 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -70.43 -64.08 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.038 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.67 17.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.428 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -108.02 -18.88 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t -95.13 111.49 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.43 26.38 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 52.22 77.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.07 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -121.63 77.71 37.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo . . . . . 0 C--O 1.248 0.995 0 C-N-CA 122.529 2.153 . . . . 1.0 112.354 179.926 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.7 t80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.96 90.63 7.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.4 p -51.38 -41.79 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.37 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -57.96 -31.85 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 m -97.99 -22.7 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 72.42 50.53 0.19 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 17' ' ' SER . 6.2 mt -149.95 163.67 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -131.15 156.71 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.23 115.93 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.39 -37.57 78.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -89.67 126.24 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.81 -37.36 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.2 -31.61 61.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 m -66.27 -48.86 69.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.44 -33.41 72.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.9 -59.89 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.123 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.91 61.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.775 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.7 t60 -70.77 -61.4 1.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -63.44 -18.28 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.56 -65.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -150.1 19.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.977 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.12 -25.86 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.736 0.303 . . . . 0.0 111.056 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.764 0.316 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -84.94 100.81 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -38.79 80.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -61.53 -50.78 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -76.19 -25.24 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.848 ' O ' HD13 ' A' ' 16' ' ' ILE . 2.0 t70 74.15 42.51 0.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.848 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.3 mm -138.22 163.4 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 16' ' ' ILE . 39.3 t -129.86 162.13 29.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CD1' HG21 ' A' ' 23' ' ' THR . 26.0 m-85 -135.86 136.23 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -74.96 -26.4 59.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -110.92 130.57 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.07 -35.12 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -55.22 -31.07 61.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.51 HG21 ' CD1' ' A' ' 18' ' ' PHE . 60.6 m -65.34 -49.49 69.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.686 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.7 -33.13 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 25' ' ' LEU . 11.4 mt -66.2 -61.42 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.208 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 -19.7 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.995 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.1 t60 -72.74 -57.99 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.0 -14.58 63.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.003 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -68.2 -64.44 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -149.37 18.15 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.939 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.53 -17.33 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.739 0.304 . . . . 0.0 111.166 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.926 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.803 0.335 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.05 109.84 18.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.8 p -64.92 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -67.4 -52.28 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.0 m -75.97 -27.38 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 73.73 53.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 5.5 mt -149.02 163.39 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -130.42 155.15 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' HG21 ' A' ' 23' ' ' THR . 18.7 m-85 -128.87 127.05 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -59.62 -31.27 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -103.97 127.06 51.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.86 -36.57 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -55.13 -30.55 60.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.633 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 18' ' ' PHE . 5.5 m -64.53 -50.44 67.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.609 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -59.04 -37.87 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.556 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.1 -60.3 3.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.354 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.93 -19.55 62.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.992 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.4 t60 -73.72 -58.31 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -15.48 63.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.927 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.05 -64.56 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.44 16.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.5 -14.29 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.74 0.305 . . . . 0.0 111.273 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.443 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.788 0.327 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 t -90.24 90.91 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -53.92 -39.65 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.9 m -58.72 -35.39 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.13 -22.81 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 73.96 45.66 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 17' ' ' SER . 6.0 mt -149.65 163.55 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 16' ' ' ILE . 31.0 t -136.63 151.49 49.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -130.96 128.5 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -72.22 -30.68 65.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -90.24 121.13 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.08 -40.85 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -35.09 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -67.02 -47.52 71.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' N ' ' A' ' 10' ' ' TYR . 9.5 t80 -63.53 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -59.24 3.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.323 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.78 -21.02 60.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.904 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 30.2 t60 -70.07 -61.63 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -15.87 63.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -66.65 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.34 19.15 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -107.97 -26.1 10.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.847 0.356 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 t80 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 t -85.06 103.4 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 m -62.5 -51.99 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.92 -25.66 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.849 ' O ' HD13 ' A' ' 16' ' ' ILE . 17.4 t0 74.56 39.49 0.44 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.849 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.1 mm -139.0 163.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -133.86 160.96 36.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.785 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -131.52 130.34 42.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.85 -29.75 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.8 126.88 52.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.75 -37.31 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -31.76 61.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -64.97 -49.85 68.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.605 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -59.67 -36.27 76.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -64.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.1 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.63 -18.93 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.16 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.5 t60 -74.01 -60.73 2.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -16.77 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 1.1 mp0 -66.09 -64.18 0.92 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.21 19.52 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -108.98 -23.57 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.987 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.79 0.329 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.87 111.32 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -66.03 -34.17 77.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 m -68.85 -53.05 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -74.91 -27.85 60.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.851 ' O ' HD13 ' A' ' 16' ' ' ILE . 2.8 t70 74.48 46.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.3 mm -138.49 163.44 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -133.47 154.36 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 18.9 m-85 -129.77 128.78 43.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -62.0 -30.34 70.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.75 126.68 51.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.03 -37.2 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -55.16 -31.86 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.674 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 3.6 m -65.41 -49.18 70.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -59.14 -34.36 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.81 -57.59 6.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.156 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -20.54 62.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.831 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 40.1 t60 -71.81 -62.07 1.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.9 -18.71 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.15 -65.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.65 19.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.958 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.19 -27.55 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.339 . . . . 0.0 111.042 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 5.4 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.761 0.315 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -84.94 100.38 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 m -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.72 -50.03 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.9 m -77.43 -25.11 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.835 ' O ' HD13 ' A' ' 16' ' ' ILE . 7.3 t0 74.67 41.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.2 mm -139.18 163.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.9 t -135.83 159.96 40.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -132.7 134.18 44.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -68.15 -27.23 66.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.73 130.35 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.31 -35.3 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -55.24 -34.04 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 m -63.49 -49.89 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.635 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 39.5 t80 -58.51 -37.36 75.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -59.62 4.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.273 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -20.89 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.842 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 42.2 t60 -71.38 -61.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -63.3 -19.13 64.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.85 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -62.55 -66.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.36 18.43 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.12 -24.62 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.725 0.298 . . . . 0.0 111.005 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 8.4 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.716 0.293 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.49 92.19 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.705 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -56.48 -41.81 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.24 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -41.34 80.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.44 -23.89 25.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 75.18 48.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -150.2 163.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -140.05 153.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CD1' HG21 ' A' ' 23' ' ' THR . 7.0 m-85 -137.14 116.63 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -37.2 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.92 125.28 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.51 -38.59 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -32.31 61.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.481 HG21 ' CD1' ' A' ' 18' ' ' PHE . 17.6 m -66.04 -48.84 69.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.45 -32.94 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.315 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.53 -20.8 61.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.969 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 38.5 t60 -72.34 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.687 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -64.14 -17.41 63.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.917 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -64.98 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.088 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.78 17.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.02 -22.69 12.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 0.0 110.935 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.4 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -85.0 91.3 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -51.27 -41.63 60.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.427 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -58.31 -45.67 87.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -82.31 -21.88 35.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.83 50.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 17' ' ' SER . 5.9 mt -150.29 163.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -130.27 160.76 32.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' HG21 ' A' ' 23' ' ' THR . 25.9 m-85 -136.37 130.35 32.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' CG ' ' A' ' 20' ' ' TYR . 1.7 p-10 -76.46 -30.13 57.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.521 ' CG ' ' ND2' ' A' ' 19' ' ' ASN . 21.1 m-85 -100.76 130.91 46.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.2 t -60.5 -36.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.771 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -32.8 62.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.488 HG21 ' CD1' ' A' ' 18' ' ' PHE . 59.2 m -65.98 -48.67 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.46 -57.87 5.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.181 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.52 -19.33 63.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.041 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 45.2 t60 -71.29 -57.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -66.84 -18.14 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.899 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.76 -64.57 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.5 20.91 0.73 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.3 -22.8 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 10.0 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.694 0.283 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -84.99 89.9 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.501 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -42.13 46.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.402 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 m -58.18 -29.6 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 m -100.95 -20.36 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.88 50.4 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 110.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -149.93 163.68 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -123.94 162.15 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -138.73 131.44 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.52 -28.86 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -104.99 129.87 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG12 HD13 ' A' ' 25' ' ' LEU . 46.6 t -62.26 -36.6 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -31.54 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -66.3 -48.73 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.788 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.69 -33.1 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.542 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.439 HD13 HG12 ' A' ' 21' ' ' VAL . 8.2 mp -65.5 -62.92 1.24 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.271 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -19.5 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.998 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 41.7 t60 -70.79 -55.4 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.67 -13.0 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 42.4 mm-40 -70.5 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.12 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -147.55 17.02 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.12 -17.69 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.758 0.313 . . . . 0.0 111.051 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.7 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 11.3 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.834 0.35 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.81 99.38 12.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -62.63 -34.9 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -62.29 -52.28 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.75 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' C ' HD12 ' A' ' 16' ' ' ILE . 87.5 m -75.76 -29.26 58.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' CYS . 1.8 t70 83.04 43.73 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.048 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 17' ' ' SER . 3.2 mp -145.7 163.96 11.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.786 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.7 t -134.7 167.53 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 12.0 m-85 -140.59 134.96 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.982 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -70.92 -26.53 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -107.8 129.52 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' HD13 ' A' ' 25' ' ' LEU . 21.4 t -58.24 -35.98 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -55.14 -34.32 63.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.691 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.439 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 1.3 m -64.27 -49.07 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.65 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -60.13 -33.48 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 21' ' ' VAL . 8.7 mp -67.25 -58.02 5.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.178 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -20.14 62.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.6 t60 -72.63 -61.22 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.96 63.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.928 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 13.8 mm-40 -64.51 -66.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.7 OUTLIER -144.59 14.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.977 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.89 -11.04 14.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.239 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.4 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.409 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.751 0.31 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.476 ' CB ' ' HZ1' ' A' ' 28' ' ' LYS . 26.4 t -84.97 91.41 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 p -52.55 -31.02 33.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -67.57 -36.41 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.8 m -93.21 -22.45 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.21 42.56 0.43 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.784 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 5.3 mt -146.16 163.38 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -128.12 155.96 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.18 117.72 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -57.1 -36.41 70.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.026 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.47 123.89 36.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.21 -38.43 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -32.0 61.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -65.5 -49.6 68.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.648 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.95 -36.87 75.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.524 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.55 -57.37 6.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.105 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.55 -18.73 64.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.859 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.1 t60 -72.38 -59.11 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HZ1' ' CB ' ' A' ' 11' ' ' CYS . 38.6 mmtm -66.47 -18.54 65.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.92 -63.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 21.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.13 -28.21 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.781 0.324 . . . . 0.0 111.085 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.929 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.95 89.53 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.625 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -50.63 -41.94 55.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -57.53 -36.7 71.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.0 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.7 m -93.08 -23.39 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.276 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.837 ' O ' HD13 ' A' ' 16' ' ' ILE . 7.2 t70 74.22 41.4 0.38 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.763 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.2 mm -138.8 163.52 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -131.5 152.92 50.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -140.6 110.38 6.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -57.7 -38.81 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -84.97 126.05 33.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 25' ' ' LEU . 21.5 t -61.0 -37.37 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -36.65 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -64.56 -48.03 76.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.12 -32.83 72.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.541 HD13 HG12 ' A' ' 21' ' ' VAL . 8.4 mp -66.99 -60.73 2.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.101 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.94 -20.35 62.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.842 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 27.4 t60 -68.52 -57.84 5.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.47 -64.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 17.11 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.935 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.411 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -113.24 -5.29 13.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.249 . . . . 0.0 111.389 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 14.7 t80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -85.05 110.44 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -34.16 77.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.0 m -68.82 -52.94 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -75.11 -27.96 60.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 73.9 52.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 17' ' ' SER . 6.0 mt -148.16 163.44 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -125.54 159.36 32.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -133.36 121.59 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.58 -33.97 70.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -100.68 126.18 47.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.75 -37.98 69.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -55.1 -31.46 61.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.689 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 m -65.72 -49.2 69.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.588 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.85 -33.59 70.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.519 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.79 -58.23 4.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.088 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -18.9 63.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.896 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.9 t60 -70.52 -56.74 5.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -67.79 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.99 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -68.01 -64.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.28 16.52 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.93 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.39 -12.98 14.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.627 0.251 . . . . 0.0 111.242 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.6 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.717 0.294 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.84 99.25 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.709 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -58.83 -39.07 80.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.4 m -61.36 -51.21 69.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -75.93 -25.42 55.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.831 ' O ' HD13 ' A' ' 16' ' ' ILE . 3.4 t0 75.37 40.0 0.34 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.831 HD13 ' O ' ' A' ' 15' ' ' ASP . 6.6 mm -139.29 162.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 16' ' ' ILE . 8.1 t -133.59 162.68 31.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 22.9 m-85 -137.11 131.87 33.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.67 -28.63 64.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -102.41 126.52 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.3 -37.69 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.2 -32.22 62.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 5.0 m -65.83 -48.79 70.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.641 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -60.05 -32.64 71.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.68 -56.16 8.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.57 -18.83 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.904 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 43.2 t60 -73.08 -59.74 2.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -15.92 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.971 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -65.46 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.064 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.57 15.76 1.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -107.54 -20.3 13.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 5.8 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.94 103.93 14.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.719 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 p -59.21 -37.5 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.018 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -63.79 -52.64 59.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -74.96 -26.03 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 73.67 51.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 17' ' ' SER . 4.7 mt -149.94 162.7 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 6.1 p -115.3 171.14 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -142.76 124.27 14.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.37 -33.33 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -106.45 127.53 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.0 t -58.99 -37.06 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -55.24 -30.77 60.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -65.47 -49.48 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -59.34 -34.52 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.503 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -61.25 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.67 -19.74 62.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.894 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 36.5 t60 -71.72 -58.64 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.712 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -15.66 63.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.73 19.32 0.8 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.963 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.08 -23.1 11.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 111.02 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.92 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.738 0.304 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -84.96 95.41 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -41.08 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -45.8 86.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.7 m -82.39 -24.7 34.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 76.25 53.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 17' ' ' SER . 5.5 mt -150.33 163.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -140.91 157.0 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 23' ' ' THR . 11.2 m-85 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.954 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.37 -25.47 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -107.37 130.74 54.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.43 -35.27 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -55.23 -32.77 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.405 HG21 ' CD1' ' A' ' 18' ' ' PHE . 17.2 m -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.684 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -64.46 -34.22 77.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.597 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' LYS . 74.2 mt -59.4 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.609 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -22.37 42.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -74.81 -62.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -17.45 63.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.931 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 36.3 mt-30 -64.97 -65.04 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -148.74 17.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.449 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.35 -20.78 13.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 111.102 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.0 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.91 101.52 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -58.24 -37.99 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.258 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -52.21 62.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.2 m -75.92 -26.58 57.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 74.46 53.7 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -149.96 163.47 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -133.1 153.43 51.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' SER . 9.9 m-85 -136.48 114.6 11.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -59.7 -31.41 69.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -89.5 122.48 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.4 t -58.66 -40.99 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -29.79 59.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 m -68.26 -48.73 64.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.63 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.46 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -56.52 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.151 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -20.47 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.827 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -70.87 -62.28 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.763 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -20.9 65.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.89 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.71 21.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.922 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -110.02 -27.78 9.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.754 0.311 . . . . 0.0 111.11 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 54.1 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.916 0.389 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -84.87 102.82 13.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -58.82 -37.47 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m -63.13 -48.36 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -80.26 -26.18 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.9 t70 74.25 51.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' SER . 5.0 mt -150.8 162.31 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 4.2 p -113.71 169.78 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.805 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -145.11 109.03 4.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.17 -41.32 88.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.67 124.43 36.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 t -57.74 -38.55 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -31.76 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 m -66.35 -48.67 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HE3' ' A' ' 28' ' ' LYS . 2.6 t80 -60.37 -32.92 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 25' ' ' LEU . 9.7 mt -67.95 -60.01 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.166 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.03 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.93 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.9 t60 -68.87 -55.12 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.713 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HE3' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -70.36 -13.05 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.032 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -70.55 -63.73 1.04 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.02 18.13 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -110.58 -13.09 14.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 15.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.87 111.89 20.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -65.73 -33.7 76.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -53.44 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.01 -28.23 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.075 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 74.19 50.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 17' ' ' SER . 5.6 mt -143.67 163.52 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -131.24 155.06 47.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 26.4 m-85 -129.37 129.32 44.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.65 -29.83 70.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.66 129.91 54.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 t -59.9 -35.37 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -55.19 -33.19 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 2.7 m -64.76 -49.07 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.751 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 5.7 t80 -60.59 -33.93 73.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' OE1' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -65.29 -61.83 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.212 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -20.24 60.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.999 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 47.3 t60 -67.98 -54.89 15.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 15.4 mmtt -69.7 -13.11 62.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.01 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -70.43 -64.08 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.038 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.67 17.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -108.02 -18.88 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -93.89 135.01 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.376 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.22 53.52 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.65 -76.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 59.57 85.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -95.13 149.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.9 ptp -174.99 69.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.93 47.51 1.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.747 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -158.02 43.93 0.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.778 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -165.11 109.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.96 90.63 7.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.4 p -51.38 -41.79 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.37 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -57.96 -31.85 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 m -97.99 -22.7 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 72.42 50.53 0.19 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 17' ' ' SER . 6.2 mt -149.95 163.67 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -131.15 156.71 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.23 115.93 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.39 -37.57 78.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -89.67 126.24 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.81 -37.36 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.2 -31.61 61.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 m -66.27 -48.86 69.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.44 -33.41 72.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.9 -59.89 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.123 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.91 61.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.775 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.7 t60 -70.77 -61.4 1.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -63.44 -18.28 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.56 -65.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -150.1 19.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.977 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.12 -25.86 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.736 0.303 . . . . 0.0 111.056 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.3 t -68.3 152.78 44.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.32 30.49 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -87.0 55.7 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -60.54 154.21 56.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.568 2.179 . . . . 1.0 112.325 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.33 -173.18 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.08 93.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 6' ' ' VAL . . . -59.56 -75.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.79 104.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.54 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' ALA . 17.7 t -99.81 159.36 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.479 ' N ' HG12 ' A' ' 6' ' ' VAL . 25.9 mmm 62.07 70.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -134.94 46.21 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.705 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.23 59.67 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -165.13 102.33 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -84.94 100.81 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -38.79 80.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.831 HG21 ' CG ' ' A' ' 34' ' ' ASN . 26.8 m -61.53 -50.78 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -76.19 -25.24 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.848 ' O ' HD13 ' A' ' 16' ' ' ILE . 2.0 t70 74.15 42.51 0.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.848 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.3 mm -138.22 163.4 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 16' ' ' ILE . 39.3 t -129.86 162.13 29.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CD1' HG21 ' A' ' 23' ' ' THR . 26.0 m-85 -135.86 136.23 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -74.96 -26.4 59.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -110.92 130.57 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.07 -35.12 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -55.22 -31.07 61.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.51 HG21 ' CD1' ' A' ' 18' ' ' PHE . 60.6 m -65.34 -49.49 69.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.686 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.7 -33.13 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 25' ' ' LEU . 11.4 mt -66.2 -61.42 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.208 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 -19.7 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.995 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.1 t60 -72.74 -57.99 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.0 -14.58 63.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.003 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -68.2 -64.44 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -149.37 18.15 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.939 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.53 -17.33 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.739 0.304 . . . . 0.0 111.166 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.1 t -87.98 124.41 33.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -98.53 35.44 1.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.831 ' CG ' HG21 ' A' ' 13' ' ' THR . 46.5 t30 -80.39 62.85 4.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -103.13 154.74 37.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.249 1.063 0 C-N-CA 122.542 2.161 . . . . 1.0 112.248 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -85.96 136.06 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.343 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.61 34.38 20.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.74 85.67 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 59.93 69.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 7' ' ' MET . 7.2 p -71.98 159.21 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.518 ' N ' HG22 ' A' ' 6' ' ' VAL . 25.2 mtm -151.87 65.42 0.85 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.822 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.02 48.71 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.761 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.63 65.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -165.12 115.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.05 109.84 18.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.8 p -64.92 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -67.4 -52.28 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.0 m -75.97 -27.38 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 73.73 53.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 5.5 mt -149.02 163.39 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -130.42 155.15 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' HG21 ' A' ' 23' ' ' THR . 18.7 m-85 -128.87 127.05 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -59.62 -31.27 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -103.97 127.06 51.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.86 -36.57 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -55.13 -30.55 60.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.633 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 18' ' ' PHE . 5.5 m -64.53 -50.44 67.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.609 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -59.04 -37.87 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.556 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.1 -60.3 3.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.354 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.93 -19.55 62.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.992 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.4 t60 -73.72 -58.31 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -15.48 63.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.927 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.05 -64.56 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.44 16.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.5 -14.29 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.74 0.305 . . . . 0.0 111.273 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t -95.08 106.49 18.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -98.63 25.03 6.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.6 t30 55.3 62.81 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt 43.44 72.05 1.28 Allowed Pre-proline 0 N--CA 1.463 0.197 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.517 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.569 2.179 . . . . 1.0 112.323 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -132.67 135.59 45.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.13 95.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.87 68.72 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 59.75 165.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.03 151.6 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -134.99 68.28 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -94.4 48.13 1.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.762 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.96 43.79 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.443 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -165.0 109.49 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 t -90.24 90.91 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -53.92 -39.65 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.563 HG22 ' CB ' ' A' ' 34' ' ' ASN . 90.9 m -58.72 -35.39 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.13 -22.81 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 73.96 45.66 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 17' ' ' SER . 6.0 mt -149.65 163.55 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 16' ' ' ILE . 31.0 t -136.63 151.49 49.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -130.96 128.5 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -72.22 -30.68 65.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -90.24 121.13 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.08 -40.85 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -35.09 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -67.02 -47.52 71.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' N ' ' A' ' 10' ' ' TYR . 9.5 t80 -63.53 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -59.24 3.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.323 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.78 -21.02 60.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.904 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 30.2 t60 -70.07 -61.63 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -15.87 63.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -66.65 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.34 19.15 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -107.97 -26.1 10.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.847 0.356 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 t -75.39 107.06 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.49 27.5 2.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.487 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.563 ' CB ' HG22 ' A' ' 13' ' ' THR . 6.2 m120 -132.85 86.22 2.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.55 76.06 35.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.563 2.176 . . . . 1.0 112.306 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 m -134.99 136.58 42.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.328 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.48 30.98 20.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.32 -76.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.94 97.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.64 150.32 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.8 ttm -105.18 61.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.208 0.528 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -134.97 47.47 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.58 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.02 53.73 0.7 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -165.23 108.92 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.763 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 t -85.06 103.4 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 m -62.5 -51.99 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.92 -25.66 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.849 ' O ' HD13 ' A' ' 16' ' ' ILE . 17.4 t0 74.56 39.49 0.44 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.849 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.1 mm -139.0 163.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -133.86 160.96 36.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.785 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -131.52 130.34 42.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.85 -29.75 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.8 126.88 52.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.75 -37.31 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -31.76 61.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -64.97 -49.85 68.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.605 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -59.67 -36.27 76.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -64.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.1 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.63 -18.93 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.16 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.5 t60 -74.01 -60.73 2.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -16.77 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 1.1 mp0 -66.09 -64.18 0.92 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.21 19.52 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -108.98 -23.57 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 t -75.98 142.05 42.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 36.61 1.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -76.65 62.34 1.95 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.98 139.76 90.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.49 2.127 . . . . 1.0 112.313 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.76 -176.26 3.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.03 36.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.04 -75.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.54 103.7 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.509 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 7' ' ' MET . 7.3 p -59.71 159.0 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.505 ' N ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -148.82 65.55 1.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.809 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -95.07 48.79 1.19 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.718 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -151.65 67.32 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -165.06 115.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.806 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.87 111.32 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -66.03 -34.17 77.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.733 HG21 ' OD1' ' A' ' 34' ' ' ASN . 17.0 m -68.85 -53.05 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -74.91 -27.85 60.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.851 ' O ' HD13 ' A' ' 16' ' ' ILE . 2.8 t70 74.48 46.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.3 mm -138.49 163.44 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -133.47 154.36 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 18.9 m-85 -129.77 128.78 43.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -62.0 -30.34 70.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.75 126.68 51.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.03 -37.2 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -55.16 -31.86 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.674 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 3.6 m -65.41 -49.18 70.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 3.9 t80 -59.14 -34.36 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.81 -57.59 6.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.156 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -20.54 62.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.831 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 40.1 t60 -71.81 -62.07 1.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.9 -18.71 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.15 -65.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.65 19.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.958 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.19 -27.55 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.339 . . . . 0.0 111.042 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.1 t -63.29 156.5 25.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -97.61 28.46 3.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.733 ' OD1' HG21 ' A' ' 13' ' ' THR . 2.4 m120 -102.86 59.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt 60.2 159.17 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.547 2.165 . . . . 1.0 112.29 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -66.45 -170.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.71 93.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.47 136.53 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -43.84 164.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.564 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.455 HG12 ' HG2' ' A' ' 7' ' ' MET . 21.4 t -82.24 152.79 4.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.455 ' HG2' HG12 ' A' ' 6' ' ' VAL . 6.2 mmt 60.33 72.52 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -95.25 44.21 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.353 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.83 43.72 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 5.4 t80 -165.21 106.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.805 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -84.94 100.38 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 m -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.499 HG21 ' HB3' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -60.72 -50.03 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.9 m -77.43 -25.11 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.835 ' O ' HD13 ' A' ' 16' ' ' ILE . 7.3 t0 74.67 41.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.2 mm -139.18 163.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.9 t -135.83 159.96 40.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -132.7 134.18 44.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -68.15 -27.23 66.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.73 130.35 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.31 -35.3 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -55.24 -34.04 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 m -63.49 -49.89 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.635 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 39.5 t80 -58.51 -37.36 75.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -59.62 4.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.273 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -20.89 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.842 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 42.2 t60 -71.38 -61.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -63.3 -19.13 64.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.85 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -62.55 -66.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.36 18.43 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.12 -24.62 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.725 0.298 . . . . 0.0 111.005 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 t -74.62 117.78 16.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 35.14 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.499 ' HB3' HG21 ' A' ' 13' ' ' THR . 11.5 m-80 -132.11 82.5 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.06 154.03 78.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.069 0 C-N-CA 122.606 2.204 . . . . 1.0 112.302 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -173.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.51 95.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 6' ' ' VAL . . . -59.42 150.35 26.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -45.61 94.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.582 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 4' ' ' ALA . 62.0 t -122.68 157.81 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.479 ' N ' HG12 ' A' ' 6' ' ' VAL . 30.8 mmm 60.29 87.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -134.84 44.41 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.616 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.52 41.04 0.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.856 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 8.4 t80 -165.28 107.01 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.49 92.19 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.705 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -56.48 -41.81 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.24 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -57.56 -41.34 80.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.938 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.44 -23.89 25.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 75.18 48.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -150.2 163.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -140.05 153.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CD1' HG21 ' A' ' 23' ' ' THR . 7.0 m-85 -137.14 116.63 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -37.2 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.92 125.28 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.51 -38.59 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -32.31 61.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.481 HG21 ' CD1' ' A' ' 18' ' ' PHE . 17.6 m -66.04 -48.84 69.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.45 -32.94 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.315 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.53 -20.8 61.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.969 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 38.5 t60 -72.34 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.687 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -64.14 -17.41 63.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.917 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -64.98 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.088 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.78 17.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.02 -22.69 12.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 0.0 110.935 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.4 t -83.04 153.65 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -134.86 28.46 3.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.683 ' HB3' HG21 ' A' ' 13' ' ' THR . 68.3 m-20 -133.14 85.92 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -106.67 87.08 2.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.529 2.153 . . . . 1.0 112.301 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -62.03 -169.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.98 86.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.709 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . . . -65.55 78.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 60.37 163.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.989 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 7' ' ' MET . 18.6 t -91.28 160.26 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.485 ' N ' HG12 ' A' ' 6' ' ' VAL . 1.2 mpp? 65.88 79.18 0.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.709 ' HE3' ' HB3' ' A' ' 4' ' ' ALA . 10.9 mmtm -94.98 46.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.685 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.52 ' NZ ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 62.22 70.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -165.11 107.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -85.0 91.3 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -51.27 -41.63 60.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.427 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 35' ' ' LYS . 3.3 m -58.31 -45.67 87.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -82.31 -21.88 35.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.83 50.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 17' ' ' SER . 5.9 mt -150.29 163.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -130.27 160.76 32.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' HG21 ' A' ' 23' ' ' THR . 25.9 m-85 -136.37 130.35 32.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.521 ' ND2' ' CG ' ' A' ' 20' ' ' TYR . 1.7 p-10 -76.46 -30.13 57.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.521 ' CG ' ' ND2' ' A' ' 19' ' ' ASN . 21.1 m-85 -100.76 130.91 46.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG22 ' NZ ' ' A' ' 9' ' ' LYS . 48.2 t -60.5 -36.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.771 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -32.8 62.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.488 HG21 ' CD1' ' A' ' 18' ' ' PHE . 59.2 m -65.98 -48.67 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.46 -57.87 5.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.181 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.52 -19.33 63.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.041 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 45.2 t60 -71.29 -57.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -66.84 -18.14 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.899 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.76 -64.57 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.5 20.91 0.73 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.3 -22.8 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 10.0 t -88.85 113.8 24.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -97.78 25.73 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 46.99 49.45 14.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.328 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.801 ' O ' HG22 ' A' ' 13' ' ' THR . 2.6 mtpt -97.03 149.36 35.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--O 1.249 1.058 0 C-N-CA 122.558 2.172 . . . . 1.0 112.293 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t 60.49 160.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 6' ' ' VAL . . . -155.04 30.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.8 27.02 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 56.66 84.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.056 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 3' ' ' ALA . 21.0 t -103.0 151.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.17 61.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.169 0.509 . . . . 0.0 110.724 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' CG ' ' CG1' ' A' ' 6' ' ' VAL . 6.6 mtmt -93.53 49.29 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.805 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CE ' HG22 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -129.44 41.32 3.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.819 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -165.23 112.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -84.99 89.9 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.501 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -42.13 46.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.402 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 m -58.18 -29.6 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 36' ' ' PRO . 22.3 m -100.95 -20.36 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.88 50.4 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 110.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -149.93 163.68 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -123.94 162.15 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -138.73 131.44 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.52 -28.86 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -104.99 129.87 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.59 HG22 ' CE ' ' A' ' 9' ' ' LYS . 46.6 t -62.26 -36.6 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -31.54 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -66.3 -48.73 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.788 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.69 -33.1 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.542 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD13 HG12 ' A' ' 21' ' ' VAL . 8.2 mp -65.5 -62.92 1.24 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.271 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -19.5 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.998 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 41.7 t60 -70.79 -55.4 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.67 -13.0 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 42.4 mm-40 -70.5 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.12 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -147.55 17.02 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.12 -17.69 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.758 0.313 . . . . 0.0 111.051 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.7 t -95.02 118.65 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -98.85 25.58 6.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 t30 47.6 49.71 15.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.4 . . . . 0.0 111.274 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.21 151.29 21.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.6 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.608 2.205 . . . . 1.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.45 175.44 9.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.59 93.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.66 -71.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 60.59 162.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 7' ' ' MET . 29.2 t -63.13 158.21 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.471 ' N ' HG12 ' A' ' 6' ' ' VAL . 3.4 ptm -105.15 61.67 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.193 0.521 . . . . 0.0 110.706 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -95.02 49.35 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.802 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -163.57 54.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.899 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 11.3 t80 -165.08 108.35 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.674 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.81 99.38 12.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -62.63 -34.9 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -62.29 -52.28 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.75 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' C ' HD12 ' A' ' 16' ' ' ILE . 87.5 m -75.76 -29.26 58.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' CYS . 1.8 t70 83.04 43.73 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.048 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 17' ' ' SER . 3.2 mp -145.7 163.96 11.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.786 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.7 t -134.7 167.53 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 12.0 m-85 -140.59 134.96 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.982 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -70.92 -26.53 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -107.8 129.52 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' HD13 ' A' ' 25' ' ' LEU . 21.4 t -58.24 -35.98 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -55.14 -34.32 63.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.691 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.439 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 1.3 m -64.27 -49.07 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.65 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 6.6 t80 -60.13 -33.48 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 21' ' ' VAL . 8.7 mp -67.25 -58.02 5.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.178 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -20.14 62.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.6 t60 -72.63 -61.22 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.96 63.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.928 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 13.8 mm-40 -64.51 -66.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.7 OUTLIER -144.59 14.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.977 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.89 -11.04 14.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.239 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.4 t -94.99 156.38 16.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 28.37 4.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.73 79.02 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.58 85.39 0.18 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.25 1.094 0 C-N-CA 122.545 2.163 . . . . 1.0 112.322 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -77.32 156.34 31.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.84 31.61 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.01 81.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 62.92 145.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.22 150.14 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.3 mtm -134.98 68.49 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -95.11 48.22 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.723 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 52.97 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.409 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 0.4 OUTLIER -165.09 109.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' CB ' ' HZ1' ' A' ' 28' ' ' LYS . 26.4 t -84.97 91.41 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 p -52.55 -31.02 33.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.618 HG22 ' HB3' ' A' ' 34' ' ' ASN . 2.2 m -67.57 -36.41 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.8 m -93.21 -22.45 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.21 42.56 0.43 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.784 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 5.3 mt -146.16 163.38 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -128.12 155.96 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.18 117.72 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -57.1 -36.41 70.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.026 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.47 123.89 36.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.21 -38.43 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -32.0 61.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -65.5 -49.6 68.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.648 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.95 -36.87 75.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.524 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.55 -57.37 6.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.105 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.55 -18.73 64.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.859 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.442 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.1 t60 -72.38 -59.11 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' HZ1' ' CB ' ' A' ' 11' ' ' CYS . 38.6 mmtm -66.47 -18.54 65.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.92 -63.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 21.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.13 -28.21 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.781 0.324 . . . . 0.0 111.085 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.4 t -65.97 113.95 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 27.43 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.618 ' HB3' HG22 ' A' ' 13' ' ' THR . 1.0 OUTLIER -112.73 75.98 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.5 mttp 61.5 154.24 0.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.54 2.16 . . . . 1.0 112.3 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -174.11 -170.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.6 37.25 19.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.68 106.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -43.71 96.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.626 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 7' ' ' MET . 7.7 p -75.22 160.28 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.505 ' N ' HG22 ' A' ' 6' ' ' VAL . 6.9 ttp 62.49 71.04 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.58 47.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.703 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 48.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -165.12 108.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.95 89.53 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.625 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -50.63 -41.94 55.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -57.53 -36.7 71.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.0 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.7 m -93.08 -23.39 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.276 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.837 ' O ' HD13 ' A' ' 16' ' ' ILE . 7.2 t70 74.22 41.4 0.38 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.763 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.2 mm -138.8 163.52 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -131.5 152.92 50.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -140.6 110.38 6.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -57.7 -38.81 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -84.97 126.05 33.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 25' ' ' LEU . 21.5 t -61.0 -37.37 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -36.65 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -64.56 -48.03 76.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.12 -32.83 72.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.541 HD13 HG12 ' A' ' 21' ' ' VAL . 8.4 mp -66.99 -60.73 2.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.101 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.94 -20.35 62.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.842 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 27.4 t60 -68.52 -57.84 5.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.47 -64.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 17.11 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.935 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.411 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -113.24 -5.29 13.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.249 . . . . 0.0 111.389 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 t -93.56 154.43 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -97.63 29.94 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -147.97 92.89 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.61 55.32 0.59 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.668 2.245 . . . . 1.0 112.386 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -60.74 150.35 32.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.27 53.61 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.61 84.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 63.49 127.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 7' ' ' MET . 21.5 t -64.02 159.19 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.481 ' N ' HG12 ' A' ' 6' ' ' VAL . 3.6 mpp? -105.12 61.5 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.233 0.539 . . . . 0.0 110.779 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HE2' HG11 ' A' ' 6' ' ' VAL . 6.7 pttt -140.43 46.59 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.529 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 74.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 14.7 t80 -165.03 120.16 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -85.05 110.44 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -34.16 77.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' CB ' ' A' ' 34' ' ' ASN . 57.0 m -68.82 -52.94 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -75.11 -27.96 60.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 73.9 52.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 17' ' ' SER . 6.0 mt -148.16 163.44 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -125.54 159.36 32.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -133.36 121.59 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.58 -33.97 70.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -100.68 126.18 47.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.75 -37.98 69.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -55.1 -31.46 61.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.689 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 m -65.72 -49.2 69.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.588 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.85 -33.59 70.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.519 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.79 -58.23 4.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.088 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -18.9 63.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.896 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.9 t60 -70.52 -56.74 5.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -67.79 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.99 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -68.01 -64.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.28 16.52 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.93 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.39 -12.98 14.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.627 0.251 . . . . 0.0 111.242 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.6 t -95.01 142.26 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -97.23 34.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' CB ' HG21 ' A' ' 13' ' ' THR . 2.3 t-20 -152.72 78.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -107.98 140.84 22.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.457 2.104 . . . . 1.0 112.245 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -131.68 -171.79 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.77 30.27 19.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 59.66 91.96 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 49.54 96.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.292 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.58 HG13 ' HE3' ' A' ' 8' ' ' LYS . 31.3 t -66.56 151.37 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.3 ptt? -170.88 68.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HE3' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -94.76 48.09 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.668 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 65.26 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -165.14 109.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.733 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.84 99.25 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.709 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -58.83 -39.07 80.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.609 HG21 ' OD1' ' A' ' 34' ' ' ASN . 75.4 m -61.36 -51.21 69.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -75.93 -25.42 55.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.831 ' O ' HD13 ' A' ' 16' ' ' ILE . 3.4 t0 75.37 40.0 0.34 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.831 HD13 ' O ' ' A' ' 15' ' ' ASP . 6.6 mm -139.29 162.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 16' ' ' ILE . 8.1 t -133.59 162.68 31.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 22.9 m-85 -137.11 131.87 33.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.67 -28.63 64.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -102.41 126.52 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.3 -37.69 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.2 -32.22 62.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 5.0 m -65.83 -48.79 70.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.641 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -60.05 -32.64 71.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.68 -56.16 8.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.57 -18.83 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.904 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 43.2 t60 -73.08 -59.74 2.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -15.92 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.971 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -65.46 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.064 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.57 15.76 1.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -107.54 -20.3 13.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t -89.78 159.35 17.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -134.75 26.22 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.609 ' OD1' HG21 ' A' ' 13' ' ' THR . 44.3 t30 -77.96 62.26 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -60.31 152.05 65.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.249 1.048 0 C-N-CA 122.515 2.143 . . . . 1.0 112.295 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -131.45 -170.21 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.65 33.44 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.26 -32.89 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 63.27 123.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 7' ' ' MET . 7.2 p -59.89 159.27 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.518 ' N ' HG22 ' A' ' 6' ' ' VAL . 15.6 ptp -172.28 66.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -95.04 48.64 1.18 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.39 54.69 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 5.8 t80 -165.06 119.49 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.94 103.93 14.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.719 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 p -59.21 -37.5 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.018 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -63.79 -52.64 59.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -74.96 -26.03 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 73.67 51.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 17' ' ' SER . 4.7 mt -149.94 162.7 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 6.1 p -115.3 171.14 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -142.76 124.27 14.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.37 -33.33 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -106.45 127.53 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.0 t -58.99 -37.06 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -55.24 -30.77 60.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -65.47 -49.48 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -59.34 -34.52 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.503 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -61.25 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.67 -19.74 62.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.894 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 36.5 t60 -71.72 -58.64 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.712 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -15.66 63.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.73 19.32 0.8 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.963 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.08 -23.1 11.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 111.02 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.8 t -75.16 139.84 42.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -101.89 37.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -90.63 51.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? 60.13 85.68 0.17 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.249 1.073 0 C-N-CA 122.561 2.174 . . . . 1.0 112.312 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p 58.6 -172.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.76 0.314 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.13 93.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.67 176.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 60.87 59.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 7' ' ' MET . 24.4 t -111.3 158.95 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.489 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -134.96 65.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -94.97 49.39 1.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.631 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -96.96 41.06 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.802 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -147.57 100.16 3.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.735 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -84.96 95.41 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -41.08 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -45.8 86.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.7 m -82.39 -24.7 34.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 76.25 53.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 17' ' ' SER . 5.5 mt -150.33 163.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -140.91 157.0 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 23' ' ' THR . 11.2 m-85 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.954 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.37 -25.47 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -107.37 130.74 54.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.43 -35.27 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -55.23 -32.77 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.405 HG21 ' CD1' ' A' ' 18' ' ' PHE . 17.2 m -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.684 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 9' ' ' LYS . 18.3 t80 -64.46 -34.22 77.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.597 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' LYS . 74.2 mt -59.4 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.609 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -22.37 42.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -74.81 -62.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -17.45 63.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.931 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 36.3 mt-30 -64.97 -65.04 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -148.74 17.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.449 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.35 -20.78 13.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 111.102 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.0 t -84.49 153.4 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -99.37 29.88 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -117.62 69.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? 43.4 70.07 2.03 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.471 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.06 0 C-N-CA 122.563 2.175 . . . . 1.0 112.289 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.66 -176.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.328 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.03 80.9 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.21 -61.78 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 60.09 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 7' ' ' MET . 7.1 p -61.41 159.35 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.513 ' N ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 57.34 69.27 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.992 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.18 45.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.647 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER 51.39 41.5 28.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.059 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -165.26 113.49 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.91 101.52 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -58.24 -37.99 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.258 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -52.21 62.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.2 m -75.92 -26.58 57.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 74.46 53.7 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -149.96 163.47 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -133.1 153.43 51.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' SER . 9.9 m-85 -136.48 114.6 11.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -59.7 -31.41 69.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -89.5 122.48 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 9' ' ' LYS . 31.4 t -58.66 -40.99 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -29.79 59.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 m -68.26 -48.73 64.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.63 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.46 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -56.52 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.151 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -20.47 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.827 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -70.87 -62.28 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.763 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -20.9 65.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.89 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.71 21.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.922 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -110.02 -27.78 9.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.754 0.311 . . . . 0.0 111.11 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -62.81 132.17 51.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -98.32 35.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -157.97 86.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.85 81.81 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.604 2.203 . . . . 1.0 112.268 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.81 171.84 10.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.67 36.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.29 -74.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 61.29 114.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -66.97 149.54 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.4 mmm -151.05 68.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -95.09 48.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.671 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.752 ' CE ' HG13 ' A' ' 21' ' ' VAL . 64.5 mmtt 57.77 42.54 23.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 54.1 t80 -118.35 120.88 38.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.774 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -84.87 102.82 13.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -58.82 -37.47 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.531 HG21 ' OD1' ' A' ' 34' ' ' ASN . 4.8 m -63.13 -48.36 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -80.26 -26.18 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.9 t70 74.25 51.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' SER . 5.0 mt -150.8 162.31 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 4.2 p -113.71 169.78 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.805 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -145.11 109.03 4.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.17 -41.32 88.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.67 124.43 36.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.752 HG13 ' CE ' ' A' ' 9' ' ' LYS . 19.3 t -57.74 -38.55 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.064 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -31.76 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 m -66.35 -48.67 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HE3' ' A' ' 28' ' ' LYS . 2.6 t80 -60.37 -32.92 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 25' ' ' LEU . 9.7 mt -67.95 -60.01 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.166 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.03 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.93 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.9 t60 -68.87 -55.12 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.713 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HE3' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -70.36 -13.05 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.032 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -70.55 -63.73 1.04 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.02 18.13 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -110.58 -13.09 14.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 15.2 t -95.06 157.97 15.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -97.47 27.86 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' OD1' HG21 ' A' ' 13' ' ' THR . 4.5 m120 -107.15 73.56 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 43.7 62.58 9.08 Favored Pre-proline 0 N--CA 1.463 0.197 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.449 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--O 1.248 0.998 0 C-N-CA 122.608 2.205 . . . . 1.0 112.296 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -131.27 172.15 12.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.29 52.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.07 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 48.28 91.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.26 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 7' ' ' MET . 21.9 t -107.0 154.52 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.404 ' N ' HG12 ' A' ' 6' ' ' VAL . 15.9 mtm 60.08 68.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -95.13 48.22 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.719 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CD ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 60.34 57.71 2.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.745 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -165.05 120.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.87 111.89 20.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -65.73 -33.7 76.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -69.66 -53.44 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.01 -28.23 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.075 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 74.19 50.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 17' ' ' SER . 5.6 mt -143.67 163.52 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -131.24 155.06 47.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 26.4 m-85 -129.37 129.32 44.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.65 -29.83 70.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.66 129.91 54.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG22 ' CD ' ' A' ' 9' ' ' LYS . 28.5 t -59.9 -35.37 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -55.19 -33.19 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 2.7 m -64.76 -49.07 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.751 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 5.7 t80 -60.59 -33.93 73.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 HD23 ' OE1' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -65.29 -61.83 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.212 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -20.24 60.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.999 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 47.3 t60 -67.98 -54.89 15.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 15.4 mmtt -69.7 -13.11 62.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.01 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.47 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 1.0 OUTLIER -70.43 -64.08 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.038 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.67 17.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -108.02 -18.88 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t -95.13 111.49 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.43 26.38 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 52.22 77.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.07 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -121.63 77.71 37.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' N ' HG22 ' A' ' 13' ' ' THR . 55.8 Cg_endo . . . . . 0 C--O 1.248 0.995 0 C-N-CA 122.529 2.153 . . . . 1.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.7 t80 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.96 90.63 7.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.4 p -51.38 -41.79 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.37 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -57.96 -31.85 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 m -97.99 -22.7 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 72.42 50.53 0.19 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 17' ' ' SER . 6.2 mt -149.95 163.67 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -131.15 156.71 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.23 115.93 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.39 -37.57 78.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -89.67 126.24 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.81 -37.36 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.2 -31.61 61.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 m -66.27 -48.86 69.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.44 -33.41 72.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.9 -59.89 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.123 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.91 61.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.775 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.7 t60 -70.77 -61.4 1.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -63.44 -18.28 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.56 -65.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -150.1 19.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.977 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.12 -25.86 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.736 0.303 . . . . 0.0 111.056 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.764 0.316 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -84.94 100.81 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -38.79 80.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -61.53 -50.78 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -76.19 -25.24 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.848 ' O ' HD13 ' A' ' 16' ' ' ILE . 2.0 t70 74.15 42.51 0.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.848 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.3 mm -138.22 163.4 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 16' ' ' ILE . 39.3 t -129.86 162.13 29.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CD1' HG21 ' A' ' 23' ' ' THR . 26.0 m-85 -135.86 136.23 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -74.96 -26.4 59.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -110.92 130.57 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.07 -35.12 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -55.22 -31.07 61.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.51 HG21 ' CD1' ' A' ' 18' ' ' PHE . 60.6 m -65.34 -49.49 69.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.686 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.7 -33.13 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 25' ' ' LEU . 11.4 mt -66.2 -61.42 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.208 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 -19.7 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.995 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.1 t60 -72.74 -57.99 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.0 -14.58 63.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.003 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -68.2 -64.44 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -149.37 18.15 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.939 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.53 -17.33 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.739 0.304 . . . . 0.0 111.166 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.1 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.926 179.999 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.803 0.335 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.05 109.84 18.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.8 p -64.92 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -67.4 -52.28 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.0 m -75.97 -27.38 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 73.73 53.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 5.5 mt -149.02 163.39 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -130.42 155.15 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' HG21 ' A' ' 23' ' ' THR . 18.7 m-85 -128.87 127.05 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.62 -31.27 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -103.97 127.06 51.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.86 -36.57 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -55.13 -30.55 60.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.633 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 18' ' ' PHE . 5.5 m -64.53 -50.44 67.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.609 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -59.04 -37.87 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.556 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.1 -60.3 3.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.354 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.93 -19.55 62.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.992 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.435 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.4 t60 -73.72 -58.31 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -15.48 63.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.927 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.05 -64.56 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.44 16.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.5 -14.29 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.74 0.305 . . . . 0.0 111.273 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.001 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.443 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.173 0 CA-C-O 120.788 0.327 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 t -90.24 90.91 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -53.92 -39.65 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.9 m -58.72 -35.39 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.13 -22.81 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 73.96 45.66 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 17' ' ' SER . 6.0 mt -149.65 163.55 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 16' ' ' ILE . 31.0 t -136.63 151.49 49.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -130.96 128.5 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -72.22 -30.68 65.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -90.24 121.13 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.08 -40.85 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -35.09 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -67.02 -47.52 71.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' N ' ' A' ' 10' ' ' TYR . 9.5 t80 -63.53 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -59.24 3.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.323 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.78 -21.02 60.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.904 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 30.2 t60 -70.07 -61.63 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -15.87 63.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -66.65 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.34 19.15 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -107.97 -26.1 10.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.847 0.356 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 t . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 t80 . . . . . 0 N--CA 1.457 -0.1 0 CA-C-O 120.848 0.356 . . . . 0.0 110.763 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 t -85.06 103.4 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 m -62.5 -51.99 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.92 -25.66 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.849 ' O ' HD13 ' A' ' 16' ' ' ILE . 17.4 t0 74.56 39.49 0.44 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.849 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.1 mm -139.0 163.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -133.86 160.96 36.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.785 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -131.52 130.34 42.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.85 -29.75 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.8 126.88 52.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.75 -37.31 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -31.76 61.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -64.97 -49.85 68.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.605 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -59.67 -36.27 76.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -64.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.1 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.63 -18.93 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.16 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.5 t60 -74.01 -60.73 2.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -16.77 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 1.1 mp0 -66.09 -64.18 0.92 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.21 19.52 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -108.98 -23.57 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 t . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.987 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.79 0.329 . . . . 0.0 110.806 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.87 111.32 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -66.03 -34.17 77.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 17.0 m -68.85 -53.05 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -74.91 -27.85 60.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.851 ' O ' HD13 ' A' ' 16' ' ' ILE . 2.8 t70 74.48 46.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.3 mm -138.49 163.44 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -133.47 154.36 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 18.9 m-85 -129.77 128.78 43.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -62.0 -30.34 70.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.75 126.68 51.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.03 -37.2 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -55.16 -31.86 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.674 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 3.6 m -65.41 -49.18 70.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -59.14 -34.36 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.81 -57.59 6.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.156 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -20.54 62.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.831 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 40.1 t60 -71.81 -62.07 1.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.9 -18.71 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.15 -65.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.65 19.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.958 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.19 -27.55 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.339 . . . . 0.0 111.042 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.941 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 5.4 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.761 0.315 . . . . 0.0 110.805 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -84.94 100.38 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 m -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -60.72 -50.03 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.9 m -77.43 -25.11 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.835 ' O ' HD13 ' A' ' 16' ' ' ILE . 7.3 t0 74.67 41.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.2 mm -139.18 163.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.9 t -135.83 159.96 40.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -132.7 134.18 44.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -68.15 -27.23 66.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.73 130.35 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.31 -35.3 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -55.24 -34.04 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 m -63.49 -49.89 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.635 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 39.5 t80 -58.51 -37.36 75.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -59.62 4.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.273 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -20.89 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.842 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 42.2 t60 -71.38 -61.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -63.3 -19.13 64.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.85 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -62.55 -66.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.36 18.43 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.12 -24.62 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.725 0.298 . . . . 0.0 111.005 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 t . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 -179.993 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 8.4 t80 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.716 0.293 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.49 92.19 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.705 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -56.48 -41.81 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.24 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.56 -41.34 80.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.938 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.44 -23.89 25.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 75.18 48.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -150.2 163.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -140.05 153.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CD1' HG21 ' A' ' 23' ' ' THR . 7.0 m-85 -137.14 116.63 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -37.2 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.92 125.28 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.51 -38.59 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -32.31 61.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.481 HG21 ' CD1' ' A' ' 18' ' ' PHE . 17.6 m -66.04 -48.84 69.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.45 -32.94 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.315 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.53 -20.8 61.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.969 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 38.5 t60 -72.34 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.687 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -64.14 -17.41 63.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.917 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -64.98 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.088 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.78 17.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.02 -22.69 12.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 0.0 110.935 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.4 t . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 t80 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -85.0 91.3 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -51.27 -41.63 60.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.427 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -58.31 -45.67 87.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -82.31 -21.88 35.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.83 50.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 17' ' ' SER . 5.9 mt -150.29 163.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -130.27 160.76 32.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' HG21 ' A' ' 23' ' ' THR . 25.9 m-85 -136.37 130.35 32.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -76.46 -30.13 57.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -100.76 130.91 46.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 48.2 t -60.5 -36.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.771 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -32.8 62.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.488 HG21 ' CD1' ' A' ' 18' ' ' PHE . 59.2 m -65.98 -48.67 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.46 -57.87 5.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.181 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.52 -19.33 63.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.041 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 45.2 t60 -71.29 -57.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -66.84 -18.14 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.899 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.76 -64.57 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.5 20.91 0.73 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.3 -22.8 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 10.0 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.694 0.283 . . . . 0.0 111.056 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -84.99 89.9 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.501 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -42.13 46.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.402 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 m -58.18 -29.6 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 22.3 m -100.95 -20.36 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.88 50.4 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 110.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -149.93 163.68 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -123.94 162.15 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -138.73 131.44 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.52 -28.86 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -104.99 129.87 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.439 HG12 HD13 ' A' ' 25' ' ' LEU . 46.6 t -62.26 -36.6 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -31.54 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -66.3 -48.73 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.788 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.69 -33.1 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.542 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.439 HD13 HG12 ' A' ' 21' ' ' VAL . 8.2 mp -65.5 -62.92 1.24 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.271 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -19.5 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.998 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 41.7 t60 -70.79 -55.4 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.67 -13.0 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 42.4 mm-40 -70.5 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.12 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -147.55 17.02 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.12 -17.69 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.758 0.313 . . . . 0.0 111.051 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.7 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.842 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 11.3 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.834 0.35 . . . . 0.0 110.674 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.81 99.38 12.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -62.63 -34.9 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -62.29 -52.28 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.75 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.495 ' C ' HD12 ' A' ' 16' ' ' ILE . 87.5 m -75.76 -29.26 58.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' CYS . 1.8 t70 83.04 43.73 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.048 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 17' ' ' SER . 3.2 mp -145.7 163.96 11.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.786 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.7 t -134.7 167.53 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 12.0 m-85 -140.59 134.96 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.982 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -70.92 -26.53 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -107.8 129.52 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' HD13 ' A' ' 25' ' ' LEU . 21.4 t -58.24 -35.98 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -55.14 -34.32 63.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.691 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.439 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 1.3 m -64.27 -49.07 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.65 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -60.13 -33.48 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 21' ' ' VAL . 8.7 mp -67.25 -58.02 5.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.178 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -20.14 62.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.6 t60 -72.63 -61.22 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.96 63.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.928 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 13.8 mm-40 -64.51 -66.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.7 OUTLIER -144.59 14.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.977 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.89 -11.04 14.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.239 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.4 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.409 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.751 0.31 . . . . 0.0 110.869 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.476 ' CB ' ' HZ1' ' A' ' 28' ' ' LYS . 26.4 t -84.97 91.41 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 p -52.55 -31.02 33.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.2 m -67.57 -36.41 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.8 m -93.21 -22.45 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.21 42.56 0.43 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.784 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 5.3 mt -146.16 163.38 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -128.12 155.96 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.18 117.72 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -57.1 -36.41 70.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.026 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.47 123.89 36.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.21 -38.43 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -32.0 61.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -65.5 -49.6 68.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.648 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.95 -36.87 75.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.524 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.55 -57.37 6.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.105 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.55 -18.73 64.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.859 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.1 t60 -72.38 -59.11 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.476 ' HZ1' ' CB ' ' A' ' 11' ' ' CYS . 38.6 mmtm -66.47 -18.54 65.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.92 -63.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 21.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.13 -28.21 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.781 0.324 . . . . 0.0 111.085 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.4 t . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.929 -179.951 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.817 0.341 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.95 89.53 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.625 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -50.63 -41.94 55.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -57.53 -36.7 71.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.0 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.7 m -93.08 -23.39 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.276 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.837 ' O ' HD13 ' A' ' 16' ' ' ILE . 7.2 t70 74.22 41.4 0.38 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.763 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.2 mm -138.8 163.52 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -131.5 152.92 50.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -140.6 110.38 6.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -57.7 -38.81 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -84.97 126.05 33.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 25' ' ' LEU . 21.5 t -61.0 -37.37 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -36.65 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -64.56 -48.03 76.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.12 -32.83 72.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.541 HD13 HG12 ' A' ' 21' ' ' VAL . 8.4 mp -66.99 -60.73 2.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.101 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.94 -20.35 62.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.842 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 27.4 t60 -68.52 -57.84 5.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.47 -64.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 17.11 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.935 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.411 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -113.24 -5.29 13.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.249 . . . . 0.0 111.389 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 t . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 14.7 t80 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -85.05 110.44 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -34.16 77.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 57.0 m -68.82 -52.94 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -75.11 -27.96 60.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 73.9 52.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 17' ' ' SER . 6.0 mt -148.16 163.44 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -125.54 159.36 32.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -133.36 121.59 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.58 -33.97 70.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -100.68 126.18 47.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.75 -37.98 69.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -55.1 -31.46 61.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.689 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 m -65.72 -49.2 69.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.588 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.85 -33.59 70.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.519 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.79 -58.23 4.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.088 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -18.9 63.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.896 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.9 t60 -70.52 -56.74 5.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -67.79 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.99 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.01 -64.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.28 16.52 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.93 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.39 -12.98 14.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.627 0.251 . . . . 0.0 111.242 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.6 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.943 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 t80 . . . . . 0 N--CA 1.457 -0.104 0 CA-C-O 120.717 0.294 . . . . 0.0 110.733 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.84 99.25 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.709 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -58.83 -39.07 80.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.4 m -61.36 -51.21 69.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.904 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -75.93 -25.42 55.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.831 ' O ' HD13 ' A' ' 16' ' ' ILE . 3.4 t0 75.37 40.0 0.34 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.831 HD13 ' O ' ' A' ' 15' ' ' ASP . 6.6 mm -139.29 162.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 16' ' ' ILE . 8.1 t -133.59 162.68 31.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 22.9 m-85 -137.11 131.87 33.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.67 -28.63 64.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -102.41 126.52 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.3 -37.69 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.2 -32.22 62.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 5.0 m -65.83 -48.79 70.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.641 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -60.05 -32.64 71.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.68 -56.16 8.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.57 -18.83 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.904 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 43.2 t60 -73.08 -59.74 2.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -15.92 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.971 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -65.46 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.064 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.57 15.76 1.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -107.54 -20.3 13.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 5.8 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.799 0.333 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.94 103.93 14.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.719 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 p -59.21 -37.5 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.018 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -63.79 -52.64 59.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -74.96 -26.03 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 73.67 51.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 17' ' ' SER . 4.7 mt -149.94 162.7 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 6.1 p -115.3 171.14 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -142.76 124.27 14.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.37 -33.33 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -106.45 127.53 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.0 t -58.99 -37.06 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -55.24 -30.77 60.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -65.47 -49.48 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -59.34 -34.52 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.503 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -61.25 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.67 -19.74 62.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.894 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 36.5 t60 -71.72 -58.64 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.712 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -15.66 63.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.73 19.32 0.8 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.963 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.08 -23.1 11.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 111.02 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.92 -179.971 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.9 t80 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.738 0.304 . . . . 0.0 110.735 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -84.96 95.41 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -41.08 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -45.8 86.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.7 m -82.39 -24.7 34.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 76.25 53.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 17' ' ' SER . 5.5 mt -150.33 163.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -140.91 157.0 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 23' ' ' THR . 11.2 m-85 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.954 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.37 -25.47 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -107.37 130.74 54.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.43 -35.27 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -55.23 -32.77 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.405 HG21 ' CD1' ' A' ' 18' ' ' PHE . 17.2 m -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.684 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -64.46 -34.22 77.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.597 179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' LYS . 74.2 mt -59.4 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.609 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -22.37 42.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -74.81 -62.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -17.45 63.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.931 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.435 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 36.3 mt-30 -64.97 -65.04 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -148.74 17.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.449 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.35 -20.78 13.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 111.102 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.0 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.934 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.773 0.321 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.91 101.52 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -58.24 -37.99 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.258 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -52.21 62.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.2 m -75.92 -26.58 57.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 74.46 53.7 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -149.96 163.47 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -133.1 153.43 51.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' SER . 9.9 m-85 -136.48 114.6 11.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -59.7 -31.41 69.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -89.5 122.48 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.4 t -58.66 -40.99 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -29.79 59.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 m -68.26 -48.73 64.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.63 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.46 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -56.52 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.151 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -20.47 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.827 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -70.87 -62.28 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.763 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -20.9 65.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.89 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.71 21.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.922 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -110.02 -27.78 9.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.754 0.311 . . . . 0.0 111.11 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 54.1 t80 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.916 0.389 . . . . 0.0 110.774 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -84.87 102.82 13.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -58.82 -37.47 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.8 m -63.13 -48.36 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -80.26 -26.18 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.9 t70 74.25 51.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' SER . 5.0 mt -150.8 162.31 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 4.2 p -113.71 169.78 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.805 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -145.11 109.03 4.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.17 -41.32 88.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.67 124.43 36.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 19.3 t -57.74 -38.55 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -31.76 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 m -66.35 -48.67 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HE3' ' A' ' 28' ' ' LYS . 2.6 t80 -60.37 -32.92 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 25' ' ' LEU . 9.7 mt -67.95 -60.01 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.166 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.03 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.93 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.9 t60 -68.87 -55.12 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.713 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HE3' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -70.36 -13.05 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.032 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -70.55 -63.73 1.04 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.02 18.13 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -110.58 -13.09 14.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 15.2 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.826 0.346 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.87 111.89 20.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -65.73 -33.7 76.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.66 -53.44 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.01 -28.23 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.075 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 74.19 50.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 17' ' ' SER . 5.6 mt -143.67 163.52 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -131.24 155.06 47.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 26.4 m-85 -129.37 129.32 44.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.65 -29.83 70.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.66 129.91 54.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 t -59.9 -35.37 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -55.19 -33.19 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 2.7 m -64.76 -49.07 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.751 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 5.7 t80 -60.59 -33.93 73.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.564 HD23 ' NE2' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -65.29 -61.83 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.212 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -20.24 60.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.999 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 47.3 t60 -67.98 -54.89 15.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 15.4 mmtt -69.7 -13.11 62.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.01 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.564 ' NE2' HD23 ' A' ' 25' ' ' LEU . 2.6 mp0 -70.43 -64.08 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.038 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.67 17.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -108.02 -18.88 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.237 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 m -93.89 135.01 35.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.376 . . . . 0.0 110.908 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.22 53.52 2.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.2 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -73.65 -76.75 0.12 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 59.57 85.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -95.13 149.88 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.9 ptp -174.99 69.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.93 47.51 1.15 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.747 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -158.02 43.93 0.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.778 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -165.11 109.34 0.88 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.963 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.6 t -84.96 90.63 7.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.652 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 66.4 p -51.38 -41.79 60.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.37 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -57.96 -31.85 67.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.982 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 34.6 m -97.99 -22.7 16.14 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.272 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 72.42 50.53 0.19 Allowed 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 17' ' ' SER . 6.2 mt -149.95 163.67 3.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -131.15 156.71 44.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.922 -179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -139.23 115.93 10.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -59.39 -37.57 78.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.987 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -89.67 126.24 35.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.5 t -60.81 -37.36 76.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.012 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.2 -31.61 61.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.813 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 6.1 m -66.27 -48.86 69.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.674 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -60.44 -33.41 72.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.503 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -66.9 -59.89 3.13 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.123 179.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.48 -20.91 61.57 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.775 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.7 t60 -70.77 -61.4 1.78 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.743 179.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -63.44 -18.28 63.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.988 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -63.56 -65.97 0.61 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.99 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' A' ' 30' ' ' PHE . 0.1 OUTLIER -150.1 19.35 0.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.977 -179.454 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.12 -25.86 10.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.736 0.303 . . . . 0.0 111.056 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.3 t -68.3 152.78 44.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.923 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -98.32 30.49 3.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -87.0 55.7 3.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.8 mtmp? -60.54 154.21 56.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo . . . . . 0 C--O 1.248 1.009 0 C-N-CA 122.568 2.179 . . . . 1.0 112.325 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.33 -173.18 4.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.777 0.322 . . . . 0.0 110.872 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.08 93.69 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.578 ' O ' HG23 ' A' ' 6' ' ' VAL . . . -59.56 -75.59 0.06 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.025 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -43.79 104.44 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.54 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 4' ' ' ALA . 17.7 t -99.81 159.36 3.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.195 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.479 ' N ' HG12 ' A' ' 6' ' ' VAL . 25.9 mmm 62.07 70.29 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.948 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.7 mtpt -134.94 46.21 2.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.705 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 55.23 59.67 3.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.016 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.5 t80 -165.13 102.33 0.75 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.828 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.6 t -84.94 100.81 11.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.832 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -59.22 -38.79 80.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.059 -179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.831 HG21 ' CG ' ' A' ' 34' ' ' ASN . 26.8 m -61.53 -50.78 71.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.4 m -76.19 -25.24 54.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.122 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.848 ' O ' HD13 ' A' ' 16' ' ' ILE . 2.0 t70 74.15 42.51 0.34 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.848 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.3 mm -138.22 163.4 29.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.971 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 16' ' ' ILE . 39.3 t -129.86 162.13 29.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.917 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.51 ' CD1' HG21 ' A' ' 23' ' ' THR . 26.0 m-85 -135.86 136.23 40.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.998 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 52.4 t30 -74.96 -26.4 59.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.842 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -110.92 130.57 55.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.8 t -59.07 -35.12 55.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.013 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -55.22 -31.07 61.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.774 179.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.51 HG21 ' CD1' ' A' ' 18' ' ' PHE . 60.6 m -65.34 -49.49 69.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.686 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -60.7 -33.13 72.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.563 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.469 ' HA ' HD23 ' A' ' 25' ' ' LEU . 11.4 mt -66.2 -61.42 2.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.208 179.586 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.71 -19.7 62.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.995 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.1 t60 -72.74 -57.99 3.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.773 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mttm -68.0 -14.58 63.08 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.003 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -68.2 -64.44 0.86 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.922 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -149.37 18.15 0.94 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.939 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.53 -17.33 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.739 0.304 . . . . 0.0 111.166 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.1 t -87.98 124.41 33.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.926 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 20.9 pttm -98.53 35.44 1.81 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.831 ' CG ' HG21 ' A' ' 13' ' ' THR . 46.5 t30 -80.39 62.85 4.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -103.13 154.74 37.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo . . . . . 0 C--O 1.249 1.063 0 C-N-CA 122.542 2.161 . . . . 1.0 112.248 -179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.21 0 N-CA-C 112.537 -0.225 . . . . 0.0 112.537 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.5 t -85.96 136.06 33.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.343 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.61 34.38 20.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.089 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -130.74 85.67 2.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.093 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 59.93 69.35 0.71 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 7' ' ' MET . 7.2 p -71.98 159.21 5.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.182 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.518 ' N ' HG22 ' A' ' 6' ' ' VAL . 25.2 mtm -151.87 65.42 0.85 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.822 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -95.02 48.71 1.19 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.761 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.63 65.57 0.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.856 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -165.12 115.8 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.808 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.8 t -85.05 109.84 18.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.806 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 82.8 p -64.92 -34.73 79.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.04 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.5 m -67.4 -52.28 41.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 96.0 m -75.97 -27.38 57.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.0 t70 73.73 53.6 0.11 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 5.5 mt -149.02 163.39 4.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -130.42 155.15 46.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.842 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.458 ' CD1' HG21 ' A' ' 23' ' ' THR . 18.7 m-85 -128.87 127.05 41.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.931 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -59.62 -31.27 69.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.969 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -103.97 127.06 51.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.4 t -58.86 -36.57 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.081 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 pttp -55.13 -30.55 60.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.633 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.458 HG21 ' CD1' ' A' ' 18' ' ' PHE . 5.5 m -64.53 -50.44 67.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.609 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 38.1 t80 -59.04 -37.87 77.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.556 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -63.1 -60.3 3.61 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.354 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.93 -19.55 62.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.992 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.435 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.4 t60 -73.72 -58.31 3.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.79 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.82 -15.48 63.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.927 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -67.05 -64.56 0.83 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.44 16.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.5 -14.29 14.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.74 0.305 . . . . 0.0 111.273 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.422 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 19.1 t -95.08 106.49 18.5 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.001 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmpt? -98.63 25.03 6.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.803 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 57.6 t30 55.3 62.81 2.31 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt 43.44 72.05 1.28 Allowed Pre-proline 0 N--CA 1.463 0.197 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.517 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo . . . . . 0 C--O 1.249 1.061 0 C-N-CA 122.569 2.179 . . . . 1.0 112.323 179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 m -132.67 135.59 45.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.798 0.332 . . . . 0.0 110.918 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.13 95.43 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.174 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -95.87 68.72 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.129 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 59.75 165.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.03 151.6 5.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.09 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -134.99 68.28 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.943 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -94.4 48.13 1.22 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.762 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.96 43.79 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.913 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.443 ' N ' ' CE1' ' A' ' 24' ' ' TYR . 0.2 OUTLIER -165.0 109.49 0.9 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.992 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.3 t -90.24 90.91 8.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.655 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 12.7 t -53.92 -39.65 66.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.131 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.563 HG22 ' CB ' ' A' ' 34' ' ' ASN . 90.9 m -58.72 -35.39 72.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 36.5 m -94.13 -22.81 18.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.209 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.2 t70 73.96 45.66 0.21 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.909 0.385 . . . . 0.0 110.717 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.439 HG22 ' N ' ' A' ' 17' ' ' SER . 6.0 mt -149.65 163.55 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.96 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.439 ' N ' HG22 ' A' ' 16' ' ' ILE . 31.0 t -136.63 151.49 49.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -130.96 128.5 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -72.22 -30.68 65.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.944 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -90.24 121.13 31.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.849 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.08 -40.85 78.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.27 -35.09 64.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.722 179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 44.6 m -67.02 -47.52 71.16 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.605 179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' CE1' ' N ' ' A' ' 10' ' ' TYR . 9.5 t80 -63.53 -31.94 73.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.558 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.31 -59.24 3.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.323 179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.78 -21.02 60.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.904 179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 30.2 t60 -70.07 -61.63 1.7 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.753 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.28 -15.87 63.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.94 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -66.65 -64.03 0.94 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.964 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.34 19.15 0.74 Allowed 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -107.97 -26.1 10.86 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.847 0.356 . . . . 0.0 110.977 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 t -75.39 107.06 7.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.832 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.49 27.5 2.59 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.487 -179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.563 ' CB ' HG22 ' A' ' 13' ' ' THR . 1.6 m-80 -132.85 86.22 2.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.911 0.386 . . . . 0.0 110.891 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.55 76.06 35.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.249 1.043 0 C-N-CA 122.563 2.176 . . . . 1.0 112.306 -179.984 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.197 0 N-CA-C 112.443 -0.263 . . . . 0.0 112.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.8 m -134.99 136.58 42.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.79 0.328 . . . . 0.0 110.881 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.48 30.98 20.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.082 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -175.32 -76.15 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.102 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 59.94 97.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.91 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.64 150.32 7.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.8 ttm -105.18 61.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.208 0.528 . . . . 0.0 110.776 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -134.97 47.47 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.58 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -154.02 53.73 0.7 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.868 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.7 t80 -165.23 108.92 0.85 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.763 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.9 t -85.06 103.4 14.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 52.1 p -60.93 -38.1 84.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.04 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 61.7 m -62.5 -51.99 65.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.0 m -74.92 -25.66 59.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.849 ' O ' HD13 ' A' ' 16' ' ' ILE . 17.4 t0 74.56 39.49 0.44 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.849 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.1 mm -139.0 163.21 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.952 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.443 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -133.86 160.96 36.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.785 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -131.52 130.34 42.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -62.85 -29.75 70.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -104.8 126.88 52.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -57.75 -37.31 58.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.03 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -55.15 -31.76 61.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.656 179.725 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.1 m -64.97 -49.85 68.68 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.605 179.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -59.67 -36.27 76.11 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.468 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -64.03 1.05 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.1 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.63 -18.93 22.91 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.16 179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.44 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.5 t60 -74.01 -60.73 2.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.748 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -66.24 -16.77 64.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.969 179.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.467 ' NE2' ' HA ' ' A' ' 29' ' ' GLN . 1.1 mp0 -66.09 -64.18 0.92 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.942 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.21 19.52 0.76 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.063 0.394 . . . . 0.0 112.063 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -108.98 -23.57 11.63 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.796 0.331 . . . . 0.0 111.139 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.6 t -75.98 142.05 42.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.987 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.54 36.61 1.87 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -76.65 62.34 1.95 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.98 139.76 90.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.248 1.02 0 C-N-CA 122.49 2.127 . . . . 1.0 112.313 -179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.203 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -131.76 -176.26 3.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.816 0.341 . . . . 0.0 110.922 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.03 36.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -60.04 -75.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.096 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -43.54 103.7 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.509 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 7' ' ' MET . 7.3 p -59.71 159.0 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.189 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.505 ' N ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -148.82 65.55 1.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.809 179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ptmm? -95.07 48.79 1.19 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.718 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -151.65 67.32 0.88 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.849 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -165.06 115.76 1.13 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.806 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.8 t -84.87 111.32 19.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.799 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 14.6 t -66.03 -34.17 77.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.733 HG21 ' OD1' ' A' ' 34' ' ' ASN . 17.0 m -68.85 -53.05 23.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.7 m -74.91 -27.85 60.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.851 ' O ' HD13 ' A' ' 16' ' ' ILE . 2.8 t70 74.48 46.57 0.15 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.828 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.851 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.3 mm -138.49 163.44 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.983 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -133.47 154.36 50.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 18.9 m-85 -129.77 128.78 43.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 26.1 m120 -62.0 -30.34 70.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.7 m-85 -103.75 126.68 51.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.03 -37.2 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -55.16 -31.86 61.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.674 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 3.6 m -65.41 -49.18 70.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 3.9 t80 -59.14 -34.36 71.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.43 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.1 mt -67.81 -57.59 6.04 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.156 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.1 -20.54 62.76 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.831 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.425 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 40.1 t60 -71.81 -62.07 1.55 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.696 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -62.9 -18.71 63.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.02 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -63.15 -65.9 0.62 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.927 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.65 19.72 0.81 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.958 -179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.425 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.19 -27.55 9.51 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.811 0.339 . . . . 0.0 111.042 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.1 t -63.29 156.5 25.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.986 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.3 pttt -97.61 28.46 3.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.733 ' OD1' HG21 ' A' ' 13' ' ' THR . 2.4 m120 -102.86 59.23 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.2 mtmt 60.2 159.17 0.11 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.831 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.249 1.034 0 C-N-CA 122.547 2.165 . . . . 1.0 112.29 179.971 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -66.45 -170.08 0.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.781 0.324 . . . . 0.0 110.95 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.71 93.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.113 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -83.47 136.53 34.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.094 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -43.84 164.26 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.564 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.455 HG12 ' HG2' ' A' ' 7' ' ' MET . 21.4 t -82.24 152.79 4.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.155 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.455 ' HG2' HG12 ' A' ' 6' ' ' VAL . 6.2 mmt 60.33 72.52 0.52 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.897 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -95.25 44.21 1.09 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.353 -179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.83 43.72 1.35 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.409 ' CD2' ' HB2' ' A' ' 17' ' ' SER . 5.4 t80 -165.21 106.55 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.805 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.2 t -84.94 100.38 11.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.745 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 41.5 m -59.45 -39.12 82.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.112 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.499 HG21 ' HB3' ' A' ' 34' ' ' ASN . 0.7 OUTLIER -60.72 -50.03 75.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 64.9 m -77.43 -25.11 50.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.835 ' O ' HD13 ' A' ' 16' ' ' ILE . 7.3 t0 74.67 41.77 0.32 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.797 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.835 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.2 mm -139.18 163.5 26.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.959 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.431 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.9 t -135.83 159.96 40.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.861 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 27.1 m-85 -132.7 134.18 44.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.969 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -68.15 -27.23 66.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.813 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -108.73 130.35 55.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.917 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.2 t -59.31 -35.3 57.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -55.24 -34.04 63.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.639 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 m -63.49 -49.89 71.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.635 179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' CE2' ' HD3' ' A' ' 28' ' ' LYS . 39.5 t80 -58.51 -37.36 75.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.509 179.85 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.74 -59.62 4.34 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.273 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.56 -20.89 61.75 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.842 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 42.2 t60 -71.38 -61.31 1.82 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.679 179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -63.3 -19.13 64.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.85 179.709 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -62.55 -66.22 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.959 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -149.36 18.43 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.12 -24.62 11.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.725 0.298 . . . . 0.0 111.005 -179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.6 t -74.62 117.78 16.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.984 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 35.14 1.83 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.938 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.499 ' HB3' HG21 ' A' ' 13' ' ' THR . 11.5 m-80 -132.11 82.5 2.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -128.06 154.03 78.52 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.893 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.069 0 C-N-CA 122.606 2.204 . . . . 1.0 112.302 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -173.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.841 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -175.51 95.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.058 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.873 ' O ' HG23 ' A' ' 6' ' ' VAL . . . -59.42 150.35 26.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -45.61 94.77 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.582 -179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.873 HG23 ' O ' ' A' ' 4' ' ' ALA . 62.0 t -122.68 157.81 27.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.929 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.479 ' N ' HG12 ' A' ' 6' ' ' VAL . 30.8 mmm 60.29 87.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.94 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 mtmp? -134.84 44.41 2.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.616 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.52 41.04 0.53 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.856 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 8.4 t80 -165.28 107.01 0.79 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 3.8 t -90.49 92.19 8.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.705 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.1 t -56.48 -41.81 77.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.24 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.683 HG21 ' HB3' ' A' ' 34' ' ' ASN . 0.2 OUTLIER -57.56 -41.34 80.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.938 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 56.2 m -86.44 -23.89 25.87 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.018 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.4 t70 75.18 48.33 0.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.436 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -150.2 163.48 3.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.959 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.436 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -140.05 153.72 46.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.872 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.481 ' CD1' HG21 ' A' ' 23' ' ' THR . 7.0 m-85 -137.14 116.63 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -58.83 -37.2 75.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.903 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -84.92 125.28 32.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.2 t -58.51 -38.59 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.926 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.14 -32.31 61.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.715 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.481 HG21 ' CD1' ' A' ' 18' ' ' PHE . 17.6 m -66.04 -48.84 69.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -61.45 -32.94 72.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.529 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.1 mt -66.59 -58.79 4.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.315 179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.53 -20.8 61.36 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.969 179.4 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.436 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 38.5 t60 -72.34 -61.29 1.85 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.687 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 22.3 mtpt -64.14 -17.41 63.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.917 179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -64.98 -65.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.088 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.78 17.34 1.13 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.436 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.02 -22.69 12.31 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.837 0.351 . . . . 0.0 110.935 179.902 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.4 t -83.04 153.65 24.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -134.86 28.46 3.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.829 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.683 ' HB3' HG21 ' A' ' 13' ' ' THR . 68.3 m-20 -133.14 85.92 2.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.9 ttmt -106.67 87.08 2.56 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.886 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 122.529 2.153 . . . . 1.0 112.301 179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 t -62.03 -169.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.864 0.364 . . . . 0.0 110.828 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -154.98 86.2 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.119 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.709 ' HB3' ' HE3' ' A' ' 8' ' ' LYS . . . -65.55 78.47 0.07 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.143 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 66.1 tt0 60.37 163.36 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.989 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 7' ' ' MET . 18.6 t -91.28 160.26 2.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.032 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.485 ' N ' HG12 ' A' ' 6' ' ' VAL . 1.2 mpp? 65.88 79.18 0.25 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.709 ' HE3' ' HB3' ' A' ' 4' ' ' ALA . 10.9 mmtm -94.98 46.22 1.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.685 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.52 ' NZ ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 62.22 70.42 0.57 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.849 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -165.11 107.27 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.001 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 8.4 t -85.0 91.3 8.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.572 179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -51.27 -41.63 60.56 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.427 -179.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.801 HG22 ' O ' ' A' ' 35' ' ' LYS . 3.3 m -58.31 -45.67 87.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.934 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 51.2 m -82.31 -21.88 35.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.202 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 70.83 50.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.866 -179.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG22 ' N ' ' A' ' 17' ' ' SER . 5.9 mt -150.29 163.42 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -130.27 160.76 32.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.941 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.488 ' CD1' HG21 ' A' ' 23' ' ' THR . 25.9 m-85 -136.37 130.35 32.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -76.46 -30.13 57.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 21.1 m-85 -100.76 130.91 46.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.52 HG22 ' NZ ' ' A' ' 9' ' ' LYS . 48.2 t -60.5 -36.45 69.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.771 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.17 -32.8 62.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.819 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.488 HG21 ' CD1' ' A' ' 18' ' ' PHE . 59.2 m -65.98 -48.67 70.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.76 179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -60.96 -32.41 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.539 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 7.0 mp -68.46 -57.87 5.18 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.181 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.52 -19.33 63.51 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.041 179.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 45.2 t60 -71.29 -57.62 4.3 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -66.84 -18.14 65.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.899 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -64.76 -64.57 0.84 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.151 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -151.5 20.91 0.73 Allowed 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -179.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.455 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.3 -22.8 12.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.879 0.371 . . . . 0.0 110.99 179.841 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.444 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 10.0 t -88.85 113.8 24.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.834 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -97.78 25.73 5.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.091 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 46.99 49.45 14.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.328 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.801 ' O ' HG22 ' A' ' 13' ' ' THR . 2.6 mtpt -97.03 149.36 35.62 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.912 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo . . . . . 0 C--O 1.249 1.058 0 C-N-CA 122.558 2.172 . . . . 1.0 112.293 -179.965 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.142 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 t 60.49 160.35 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.893 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.562 ' O ' HG23 ' A' ' 6' ' ' VAL . . . -155.04 30.17 0.4 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.13 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 60.8 27.02 16.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.161 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.6 tt0 56.66 84.51 0.09 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.056 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 3' ' ' ALA . 21.0 t -103.0 151.05 6.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -105.17 61.65 0.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.169 0.509 . . . . 0.0 110.724 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' CG ' ' CG1' ' A' ' 6' ' ' VAL . 6.6 mtmt -93.53 49.29 1.36 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.805 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.59 ' CE ' HG22 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -129.44 41.32 3.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.819 -179.953 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -165.23 112.37 0.97 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.056 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.0 t -84.99 89.9 7.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.501 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.79 -42.13 46.11 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.402 -179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 70.7 m -58.18 -29.6 65.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.954 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.403 ' HA ' ' HA ' ' A' ' 36' ' ' PRO . 22.3 m -100.95 -20.36 15.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.317 -179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 68.88 50.4 0.62 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.919 0.39 . . . . 0.0 110.727 -179.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -149.93 163.68 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -123.94 162.15 23.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.936 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -138.73 131.44 29.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -77.52 -28.86 52.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.006 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -104.99 129.87 53.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.012 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.59 HG22 ' CE ' ' A' ' 9' ' ' LYS . 46.6 t -62.26 -36.6 75.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.808 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -31.54 61.5 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.796 179.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -66.3 -48.73 69.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.788 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -61.69 -33.1 73.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.542 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.439 HD13 HG12 ' A' ' 21' ' ' VAL . 8.2 mp -65.5 -62.92 1.24 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.271 179.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.84 -19.5 62.65 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.998 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.444 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 41.7 t60 -70.79 -55.4 8.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.746 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.2 mtmt -69.67 -13.0 62.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.992 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.406 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 42.4 mm-40 -70.5 -63.87 1.01 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.446 -0.343 . . . . 0.0 111.12 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.406 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -147.55 17.02 1.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.519 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -108.12 -17.69 13.97 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.758 0.313 . . . . 0.0 111.051 179.889 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.43 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 12.7 t -95.02 118.65 32.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.842 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.6 mtmp? -98.85 25.58 6.48 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.094 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 50.3 t30 47.6 49.71 15.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.939 0.4 . . . . 0.0 111.274 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.21 151.29 21.11 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.954 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.403 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 55.6 Cg_endo . . . . . 0 C--O 1.248 1.007 0 C-N-CA 122.608 2.205 . . . . 1.0 112.347 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.165 0 N-CA-C 112.544 -0.222 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.45 175.44 9.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.796 0.332 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.59 93.42 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.66 -71.22 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 60.59 162.75 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 7' ' ' MET . 29.2 t -63.13 158.21 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.471 ' N ' HG12 ' A' ' 6' ' ' VAL . 3.4 ptm -105.15 61.67 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.193 0.521 . . . . 0.0 110.706 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.9 pttm -95.02 49.35 1.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.802 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.431 ' HA ' ' CG ' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -163.57 54.42 0.17 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.899 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.416 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 11.3 t80 -165.08 108.35 0.85 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.674 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.9 t -87.81 99.38 12.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.976 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.0 p -62.63 -34.9 77.98 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.82 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -62.29 -52.28 64.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.75 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.495 ' C ' HD12 ' A' ' 16' ' ' ILE . 87.5 m -75.76 -29.26 58.75 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' CB ' ' O ' ' A' ' 14' ' ' CYS . 1.8 t70 83.04 43.73 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.048 179.355 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.529 HG22 ' N ' ' A' ' 17' ' ' SER . 3.2 mp -145.7 163.96 11.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 CA-C-O 120.879 0.371 . . . . 0.0 110.786 179.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.529 ' N ' HG22 ' A' ' 16' ' ' ILE . 1.7 t -134.7 167.53 20.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 12.0 m-85 -140.59 134.96 31.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.982 -179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 64.2 m-80 -70.92 -26.53 63.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.0 m-85 -107.8 129.52 55.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.48 ' O ' HD13 ' A' ' 25' ' ' LEU . 21.4 t -58.24 -35.98 55.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.009 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -55.14 -34.32 63.65 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.691 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.439 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 1.3 m -64.27 -49.07 73.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.65 179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' CG ' ' HA ' ' A' ' 9' ' ' LYS . 6.6 t80 -60.13 -33.48 72.2 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.493 179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 21' ' ' VAL . 8.7 mp -67.25 -58.02 5.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.178 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.38 -20.14 62.69 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.417 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 35.6 t60 -72.63 -61.22 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.782 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -17.96 63.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.928 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 13.8 mm-40 -64.51 -66.41 0.55 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.124 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.7 OUTLIER -144.59 14.61 1.58 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.977 -179.549 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.417 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -109.89 -11.04 14.72 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.726 0.298 . . . . 0.0 111.239 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.4 t -94.99 156.38 16.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.929 0.395 . . . . 0.0 110.933 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.05 28.37 4.02 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.004 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -130.73 79.02 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 60.58 85.39 0.18 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.848 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo . . . . . 0 C--O 1.25 1.094 0 C-N-CA 122.545 2.163 . . . . 1.0 112.322 179.948 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 m -77.32 156.34 31.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.358 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.84 31.61 20.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.169 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -131.01 81.49 2.0 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.079 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 62.92 145.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.22 150.14 6.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.3 mtm -134.98 68.49 1.47 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -95.11 48.22 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.723 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 52.97 1.07 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.003 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.409 ' CD2' ' HB3' ' A' ' 17' ' ' SER . 0.4 OUTLIER -165.09 109.57 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.446 ' CB ' ' HZ1' ' A' ' 28' ' ' LYS . 26.4 t -84.97 91.41 8.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.656 179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 69.4 p -52.55 -31.02 33.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.204 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.618 HG22 ' HB3' ' A' ' 34' ' ' ASN . 2.2 m -67.57 -36.41 80.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.8 m -93.21 -22.45 19.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.159 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.2 t70 73.21 42.56 0.43 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.784 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 17' ' ' SER . 5.3 mt -146.16 163.38 10.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.033 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.441 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -128.12 155.96 43.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.961 -180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -129.18 117.72 21.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.7 t30 -57.1 -36.41 70.59 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.026 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -92.47 123.89 36.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.882 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.6 t -58.21 -38.43 68.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.15 -32.0 61.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.673 179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.9 m -65.5 -49.6 68.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.648 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -58.95 -36.87 75.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.524 179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -67.55 -57.37 6.59 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.105 179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.55 -18.73 64.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.859 179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.442 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.1 t60 -72.38 -59.11 2.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.741 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.446 ' HZ1' ' CB ' ' A' ' 11' ' ' CYS . 38.6 mmtm -66.47 -18.54 65.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.998 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -63.92 -63.86 1.05 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.3 21.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.442 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.13 -28.21 9.18 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.781 0.324 . . . . 0.0 111.085 -179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 19.4 t -65.97 113.95 4.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.929 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.79 27.43 8.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.783 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.618 ' HB3' HG22 ' A' ' 13' ' ' THR . 1.0 OUTLIER -112.73 75.98 0.95 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.871 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.5 mttp 61.5 154.24 0.11 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--O 1.25 1.076 0 C-N-CA 122.54 2.16 . . . . 1.0 112.3 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.9 p -174.11 -170.14 0.52 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.83 0.348 . . . . 0.0 110.888 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.6 37.25 19.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -173.68 106.92 0.13 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.113 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -43.71 96.16 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.626 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.505 HG22 ' N ' ' A' ' 7' ' ' MET . 7.7 p -75.22 160.28 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.151 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.505 ' N ' HG22 ' A' ' 6' ' ' VAL . 6.9 ttp 62.49 71.04 0.54 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.928 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.58 47.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.703 179.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.89 48.64 1.96 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.896 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 t80 -165.12 108.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.1 t -84.95 89.53 7.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.625 179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 24.4 p -50.63 -41.94 55.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.385 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.1 m -57.53 -36.7 71.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.0 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 50.7 m -93.08 -23.39 18.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.276 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.837 ' O ' HD13 ' A' ' 16' ' ' ILE . 7.2 t70 74.22 41.4 0.38 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.763 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 ' O ' ' A' ' 15' ' ' ASP . 7.2 mm -138.8 163.52 27.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.985 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.8 OUTLIER -131.5 152.92 50.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.821 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -140.6 110.38 6.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -57.7 -38.81 75.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.081 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -84.97 126.05 33.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.541 HG12 HD13 ' A' ' 25' ' ' LEU . 21.5 t -61.0 -37.37 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.093 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -36.65 66.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.731 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -64.56 -48.03 76.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.629 179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -61.12 -32.83 72.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.517 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.541 HD13 HG12 ' A' ' 21' ' ' VAL . 8.4 mp -66.99 -60.73 2.38 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.101 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.94 -20.35 62.11 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.842 179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.411 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 27.4 t60 -68.52 -57.84 5.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.745 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -66.56 -15.98 63.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.1 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 7.1 mm-40 -67.47 -64.91 0.76 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.017 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -147.55 17.11 1.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.935 -179.56 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.411 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -113.24 -5.29 13.64 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.622 0.249 . . . . 0.0 111.389 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 18.8 t -93.56 154.43 17.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 110.844 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ptpt -97.63 29.94 3.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -147.97 92.89 2.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.61 55.32 0.59 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 122.668 2.245 . . . . 1.0 112.386 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.534 -0.226 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -60.74 150.35 32.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.795 0.331 . . . . 0.0 110.933 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -85.27 53.61 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.208 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -151.61 84.42 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.084 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 63.49 127.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 7' ' ' MET . 21.5 t -64.02 159.19 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.126 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.481 ' N ' HG12 ' A' ' 6' ' ' VAL . 3.6 mpp? -105.12 61.5 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.233 0.539 . . . . 0.0 110.779 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.406 ' HE2' HG11 ' A' ' 6' ' ' VAL . 6.7 pttt -140.43 46.59 1.8 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.529 179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.93 74.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.847 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.412 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 14.7 t80 -165.03 120.16 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.928 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.9 t -85.05 110.44 18.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.753 179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.4 -34.16 77.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.087 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.449 HG21 ' CB ' ' A' ' 34' ' ' ASN . 57.0 m -68.82 -52.94 24.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 89.9 m -75.11 -27.96 60.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.108 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.4 t70 73.9 52.54 0.11 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.801 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.444 HG22 ' N ' ' A' ' 17' ' ' SER . 6.0 mt -148.16 163.44 5.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.444 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -125.54 159.36 32.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.844 -179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -133.36 121.59 22.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 4.2 t-20 -58.58 -33.97 70.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.086 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.3 m-85 -100.68 126.18 47.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.915 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.5 t -58.75 -37.98 69.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.6 mtmt -55.1 -31.46 61.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.689 179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 11.5 m -65.72 -49.2 69.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.588 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -58.85 -33.59 70.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.519 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.0 tt -68.79 -58.23 4.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.088 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.15 -18.9 63.96 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.896 179.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 39.9 t60 -70.52 -56.74 5.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.734 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 mmtp -67.79 -14.88 63.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.99 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -68.01 -64.84 0.78 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.063 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.28 16.52 1.18 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.93 -179.567 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.42 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.3 OUTLIER -109.39 -12.98 14.67 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.627 0.251 . . . . 0.0 111.242 179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.415 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 17.6 t -95.01 142.26 27.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.84 0.353 . . . . 0.0 110.943 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.1 ttmm -97.23 34.39 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' CB ' HG21 ' A' ' 13' ' ' THR . 2.3 t-20 -152.72 78.97 1.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.933 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 9.9 ttpp -107.98 140.84 22.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.055 0 C-N-CA 122.457 2.104 . . . . 1.0 112.245 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.3 m -131.68 -171.79 2.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 59.77 30.27 19.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.075 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 59.66 91.96 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.127 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 49.54 96.16 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.292 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.58 HG13 ' HE3' ' A' ' 8' ' ' LYS . 31.3 t -66.56 151.37 10.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.974 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 12.3 ptt? -170.88 68.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.58 ' HE3' HG13 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -94.76 48.09 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.668 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.13 65.26 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.896 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.2 t80 -165.14 109.16 0.87 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.733 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 t -84.84 99.25 10.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.709 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 3.0 p -58.83 -39.07 80.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.176 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.752 HG21 ' ND2' ' A' ' 34' ' ' ASN . 75.4 m -61.36 -51.21 69.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.935 0.398 . . . . 0.0 110.904 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 68.4 m -75.93 -25.42 55.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.155 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.831 ' O ' HD13 ' A' ' 16' ' ' ILE . 3.4 t0 75.37 40.0 0.34 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.937 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.831 HD13 ' O ' ' A' ' 15' ' ' ASP . 6.6 mm -139.29 162.54 27.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.97 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 16' ' ' ILE . 8.1 t -133.59 162.68 31.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.834 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.444 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 22.9 m-85 -137.11 131.87 33.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -70.67 -28.63 64.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.964 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -102.41 126.52 49.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 21.3 t -57.3 -37.69 58.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -55.2 -32.22 62.05 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.752 179.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.444 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 5.0 m -65.83 -48.79 70.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.641 179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -60.05 -32.64 71.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.534 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.68 -56.16 8.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.119 179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -63.57 -18.83 64.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.904 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.433 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 43.2 t60 -73.08 -59.74 2.56 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.767 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.24 -15.92 62.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.971 179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.9 -65.46 0.68 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.064 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -145.57 15.76 1.44 Allowed 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.13 0.419 . . . . 0.0 112.13 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.433 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -107.54 -20.3 13.29 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.796 0.331 . . . . 0.0 110.93 179.87 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.2 t -89.78 159.35 17.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -134.75 26.22 3.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.752 ' ND2' HG21 ' A' ' 13' ' ' THR . 9.4 t-20 -77.96 62.26 2.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.834 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.9 pttm -60.31 152.05 65.5 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.901 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo . . . . . 0 C--O 1.249 1.048 0 C-N-CA 122.515 2.143 . . . . 1.0 112.295 179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.238 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.0 m -131.45 -170.21 2.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.937 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 60.65 33.44 20.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.096 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -90.26 -32.89 16.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 58.3 tt0 63.27 123.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 7' ' ' MET . 7.2 p -59.89 159.27 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.149 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.518 ' N ' HG22 ' A' ' 6' ' ' VAL . 15.6 ptp -172.28 66.16 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.889 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.6 mmtp -95.04 48.64 1.18 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.784 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.39 54.69 1.65 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.885 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.447 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 5.8 t80 -165.06 119.49 1.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 9.8 t -84.94 103.93 14.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.719 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 2.6 p -59.21 -37.5 77.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.018 -179.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.3 m -63.79 -52.64 59.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.6 m -74.96 -26.03 59.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.181 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.5 t70 73.67 51.67 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.859 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 17' ' ' SER . 4.7 mt -149.94 162.7 3.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.447 ' HA ' ' HA ' ' A' ' 10' ' ' TYR . 6.1 p -115.3 171.14 7.88 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.862 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -142.76 124.27 14.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 -67.37 -33.33 74.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -106.45 127.53 53.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.945 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 30.0 t -58.99 -37.06 65.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.972 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.4 mttp -55.24 -30.77 60.69 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.655 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.3 m -65.47 -49.48 68.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.683 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -59.34 -34.52 72.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.503 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.41 -61.25 2.1 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.171 179.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.67 -19.74 62.65 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.894 179.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.429 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 36.5 t60 -71.72 -58.64 3.3 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.712 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -15.66 63.6 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.996 179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -66.72 -64.66 0.81 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.967 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.73 19.32 0.8 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.963 -179.48 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.429 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -109.08 -23.1 11.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.759 0.314 . . . . 0.0 111.02 -179.839 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 17.8 t -75.16 139.84 42.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.92 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 mttt -101.89 37.27 1.88 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.942 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 20.7 p-10 -90.63 51.46 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tmtm? 60.13 85.68 0.17 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_endo . . . . . 0 C--O 1.249 1.073 0 C-N-CA 122.561 2.174 . . . . 1.0 112.312 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p 58.6 -172.01 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.76 0.314 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . 61.13 93.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -64.67 176.1 1.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 60.87 59.88 1.99 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.885 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 7' ' ' MET . 24.4 t -111.3 158.95 11.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.122 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.489 ' N ' HG12 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -134.96 65.4 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.856 179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 24' ' ' TYR . 0.4 OUTLIER -94.97 49.39 1.22 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.631 179.77 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' HA ' ' CD1' ' A' ' 24' ' ' TYR . 0.1 OUTLIER -96.96 41.06 1.12 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.802 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.9 t80 -147.57 100.16 3.2 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.735 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.2 t -84.96 95.41 9.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.736 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -59.09 -41.08 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.145 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -58.11 -45.8 86.66 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.7 m -82.39 -24.7 34.29 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.07 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 t70 76.25 53.38 0.05 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.82 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.442 HG22 ' N ' ' A' ' 17' ' ' SER . 5.5 mt -150.33 163.19 3.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.981 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.4 OUTLIER -140.91 157.0 45.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.862 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.405 ' CD1' HG21 ' A' ' 23' ' ' THR . 11.2 m-85 -138.06 137.12 37.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.954 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -76.37 -25.47 54.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.839 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -107.37 130.74 54.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.5 t -58.43 -35.27 53.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.428 ' HA ' HD12 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -55.23 -32.77 62.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.76 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.405 HG21 ' CD1' ' A' ' 18' ' ' PHE . 17.2 m -65.01 -49.24 70.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.684 179.735 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.426 ' CD1' ' HA ' ' A' ' 9' ' ' LYS . 18.3 t80 -64.46 -34.22 77.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.597 179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.428 HD12 ' HA ' ' A' ' 22' ' ' LYS . 74.2 mt -59.4 -63.47 1.29 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.609 179.748 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.41 -22.37 42.65 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.014 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.43 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -74.81 -62.31 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.982 -0.553 . . . . 0.0 110.727 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.42 -17.45 63.8 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.931 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.435 ' HB3' ' CD2' ' A' ' 30' ' ' PHE . 36.3 mt-30 -64.97 -65.04 0.72 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.996 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.435 ' CD2' ' HB3' ' A' ' 29' ' ' GLN . 0.9 OUTLIER -148.74 17.33 1.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.071 0.397 . . . . 0.0 112.071 -179.449 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.43 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -108.35 -20.78 13.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.812 0.339 . . . . 0.0 111.102 179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 16.0 t -84.49 153.4 23.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.934 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.3 mmmt -99.37 29.88 3.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -117.62 69.79 0.78 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.1 ptpm? 43.4 70.07 2.03 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.471 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo . . . . . 0 C--O 1.249 1.06 0 C-N-CA 122.563 2.175 . . . . 1.0 112.289 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.459 -0.257 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m 60.66 -176.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.79 0.328 . . . . 0.0 110.954 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.03 80.9 1.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -108.21 -61.78 1.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.11 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 60.09 101.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.839 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.513 HG22 ' N ' ' A' ' 7' ' ' MET . 7.1 p -61.41 159.35 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.154 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.513 ' N ' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER 57.34 69.27 0.76 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.992 179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -140.18 45.18 1.87 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.647 179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HD3' HG22 ' A' ' 21' ' ' VAL . 0.3 OUTLIER 51.39 41.5 28.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.059 179.932 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.0 t80 -165.26 113.49 1.01 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.901 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.6 t -84.91 101.52 12.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.596 179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 11.6 t -58.24 -37.99 75.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.258 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -52.21 62.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.968 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 88.2 m -75.92 -26.58 57.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.231 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.9 t70 74.46 53.7 0.09 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.761 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 17' ' ' SER . 6.1 mt -149.96 163.47 3.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.01 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.435 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.3 OUTLIER -133.1 153.43 51.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.756 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.404 ' CD1' ' O ' ' A' ' 17' ' ' SER . 9.9 m-85 -136.48 114.6 11.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.011 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -59.7 -31.41 69.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.965 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -89.5 122.48 32.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.812 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.478 HG22 ' HD3' ' A' ' 9' ' ' LYS . 31.4 t -58.66 -40.99 81.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.89 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.4 -29.79 59.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.1 m -68.26 -48.73 64.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.63 179.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 10.7 t80 -60.1 -32.9 71.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.46 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.92 -56.52 7.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.151 179.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.18 -20.47 62.78 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.827 179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.423 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 37.3 t60 -70.87 -62.28 1.45 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.763 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -20.9 65.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.876 179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -60.89 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -152.71 21.32 0.61 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.922 -179.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.423 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.1 OUTLIER -110.02 -27.78 9.04 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.754 0.311 . . . . 0.0 111.11 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.5 t -62.81 132.17 51.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.835 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.0 mtpt -98.32 35.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -157.97 86.74 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -175.85 81.81 0.29 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.249 1.035 0 C-N-CA 122.604 2.203 . . . . 1.0 112.268 180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -71.81 171.84 10.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.832 0.349 . . . . 0.0 110.947 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -171.67 36.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 66.29 -74.86 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 61.29 114.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.97 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 20.7 t -66.97 149.54 11.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.163 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 91.4 mmm -151.05 68.86 0.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.926 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmmt -95.09 48.02 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.671 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.752 ' CE ' HG13 ' A' ' 21' ' ' VAL . 64.5 mmtt 57.77 42.54 23.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.894 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 17' ' ' SER . 54.1 t80 -118.35 120.88 38.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.774 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.9 t -84.87 102.82 13.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.627 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 m -58.82 -37.47 76.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.168 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.531 HG21 ' OD1' ' A' ' 34' ' ' ASN . 4.8 m -63.13 -48.36 78.85 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 69.1 m -80.26 -26.18 39.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.243 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.9 t70 74.25 51.39 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.433 HG22 ' N ' ' A' ' 17' ' ' SER . 5.0 mt -150.8 162.31 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.118 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.433 ' N ' HG22 ' A' ' 16' ' ' ILE . 4.2 p -113.71 169.78 8.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.805 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -145.11 109.03 4.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -59.17 -41.32 88.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -92.67 124.43 36.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.752 HG13 ' CE ' ' A' ' 9' ' ' LYS . 19.3 t -57.74 -38.55 65.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.064 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.24 -31.76 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 14.5 m -66.35 -48.67 69.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.701 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.435 ' CE2' ' HE3' ' A' ' 28' ' ' LYS . 2.6 t80 -60.37 -32.92 71.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.548 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.472 ' HA ' HD23 ' A' ' 25' ' ' LEU . 9.7 mt -67.95 -60.01 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.166 179.425 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.92 -19.03 63.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.93 179.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.427 ' HA ' ' CB ' ' A' ' 31' ' ' TYR . 33.9 t60 -68.87 -55.12 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.713 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.435 ' HE3' ' CE2' ' A' ' 24' ' ' TYR . 0.0 OUTLIER -70.36 -13.05 61.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.032 179.762 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -70.55 -63.73 1.04 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.02 18.13 0.97 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -179.54 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -110.58 -13.09 14.28 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.686 0.279 . . . . 0.0 111.277 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.412 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 15.2 t -95.06 157.97 15.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.93 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.9 ptpt -97.47 27.86 4.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.531 ' OD1' HG21 ' A' ' 13' ' ' THR . 4.5 m120 -107.15 73.56 0.93 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.894 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 43.7 62.58 9.08 Favored Pre-proline 0 N--CA 1.463 0.197 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.449 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--O 1.248 0.998 0 C-N-CA 122.608 2.205 . . . . 1.0 112.296 179.986 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.534 -0.227 . . . . 0.0 112.534 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -131.27 172.15 12.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.879 0.371 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -155.29 52.05 0.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . 64.07 -79.63 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.093 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 48.28 91.41 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.26 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.404 HG12 ' N ' ' A' ' 7' ' ' MET . 21.9 t -107.0 154.52 7.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.135 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.404 ' N ' HG12 ' A' ' 6' ' ' VAL . 15.9 mtm 60.08 68.05 0.81 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -95.13 48.22 1.16 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.719 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.464 ' CD ' HG22 ' A' ' 21' ' ' VAL . 0.0 OUTLIER 60.34 57.71 2.79 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.745 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -165.05 120.21 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.777 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.1 t -84.87 111.89 20.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 4.0 m -65.73 -33.7 76.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.013 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.444 HG22 ' N ' ' A' ' 36' ' ' PRO . 0.2 OUTLIER -69.66 -53.44 18.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -75.01 -28.23 60.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.075 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 6.0 t70 74.19 50.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 17' ' ' SER . 5.6 mt -143.67 163.52 15.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.915 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.438 ' N ' HG22 ' A' ' 16' ' ' ILE . 0.2 OUTLIER -131.24 155.06 47.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.973 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.44 ' CD1' ' CG2' ' A' ' 23' ' ' THR . 26.4 m-85 -129.37 129.32 44.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.925 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -62.65 -29.83 70.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.964 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -106.66 129.91 54.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.952 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.464 HG22 ' CD ' ' A' ' 9' ' ' LYS . 28.5 t -59.9 -35.37 60.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.035 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 11.8 mtpt -55.19 -33.19 62.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.748 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.44 ' CG2' ' CD1' ' A' ' 18' ' ' PHE . 2.7 m -64.76 -49.07 72.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.751 179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.424 ' CZ ' ' HE3' ' A' ' 28' ' ' LYS . 5.7 t80 -60.59 -33.93 73.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.467 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.564 HD23 ' NE2' ' A' ' 29' ' ' GLN . 0.2 OUTLIER -65.29 -61.83 1.89 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.212 179.522 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.71 -20.24 60.62 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.999 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.441 ' CD2' ' HB2' ' A' ' 32' ' ' CYS . 47.3 t60 -67.98 -54.89 15.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.83 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.424 ' HE3' ' CZ ' ' A' ' 24' ' ' TYR . 15.4 mmtt -69.7 -13.11 62.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.01 179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.564 ' NE2' HD23 ' A' ' 25' ' ' LEU . 2.6 mp0 -70.43 -64.08 0.96 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.038 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -147.67 17.5 1.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.008 0.373 . . . . 0.0 112.008 -179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' CB ' ' HA ' ' A' ' 27' ' ' HIS . 0.4 OUTLIER -108.02 -18.88 13.68 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.825 0.345 . . . . 0.0 111.053 179.798 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.441 ' HB2' ' CD2' ' A' ' 27' ' ' HIS . 11.5 t -95.13 111.49 23.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.824 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.43 26.38 5.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 52.22 77.93 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.07 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 10.0 mttm -121.63 77.71 37.62 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' N ' HG22 ' A' ' 13' ' ' THR . 55.8 Cg_endo . . . . . 0 C--O 1.248 0.995 0 C-N-CA 122.529 2.153 . . . . 1.0 112.354 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_