data_2jmp_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 2jmp _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.809 0.338 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 tt0 -44.37 -72.6 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -48.68 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.672 ' ND2' ' HG ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -59.52 -30.01 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.584 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.7 -58.55 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -63.41 -47.22 82.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.714 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.62 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 26.3 ttpt -62.71 -51.69 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.54 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.672 ' HG ' ' ND2' ' A' ' 5' ' ' ASN . 62.8 m -56.79 -27.38 59.67 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.286 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -43.79 94.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.1 mt -57.29 -47.28 81.88 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 32.2 ttpt -35.99 -62.15 0.45 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.879 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -40.53 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.131 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.3 t-80 -69.13 -57.64 5.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.532 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.3 m-85 -92.72 31.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.687 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LYS . 15.8 pt-20 -72.4 21.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.76 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 15' ' ' TYR . 42.0 mtmt -150.23 -25.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.407 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.09 35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.317 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.713 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 10.0 tt -44.63 -74.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.115 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.713 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -26.69 -49.35 0.05 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.871 -0.491 . . . . 0.0 111.871 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -53.71 -52.46 60.01 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.585 ' N ' ' O ' ' A' ' 19' ' ' ILE . 54.9 t-80 -55.78 -58.69 6.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.208 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.95 -7.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' HIS . 21.2 tttp -88.34 -77.1 0.37 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.705 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 29.9 m-85 -111.49 -70.05 0.83 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.589 ' O ' ' C ' ' A' ' 27' ' ' LYS . 6.7 mm -36.48 -25.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.043 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.0 ttmt 7.43 -102.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.699 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -140.73 81.23 1.79 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.764 0.316 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.423 HG21 ' H ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -76.58 -162.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.89 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.423 ' H ' HG21 ' A' ' 29' ' ' ILE . 59.0 t30 -171.2 22.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -129.95 96.92 4.33 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.298 0.571 . . . . 0.0 110.675 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -155.4 141.0 17.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.89 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.23 153.77 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.509 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' A' ' 35' ' ' LYS . 3.8 t80 -129.08 131.24 47.26 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.509 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 1.4 mtpp 173.6 45.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.695 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 179.11 41.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.268 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 58.56 -6.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.695 ' H ' ' C ' ' A' ' 36' ' ' ASN . 85.5 t -119.71 161.03 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 8.0 mp -130.04 132.21 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' CD1' ' CG ' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -118.75 142.97 47.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.98 138.53 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.48 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 136.55 56.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.063 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.9 tp -173.45 94.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.127 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.75 -40.49 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 23.3 m120 -41.05 116.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -60.81 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 50' ' ' ASN . 39.0 m-85 -62.46 -67.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.518 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' PHE . . . -37.77 -39.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -75.87 -34.91 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 47' ' ' PHE . 46.8 t30 -56.5 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.707 0.765 . . . . 0.0 110.146 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -50.32 73.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.835 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -50.38 -51.26 47.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 3.9 p30 -77.37 -15.64 59.28 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.682 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 73.0 m-20 -74.06 -25.79 60.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.27 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 179.0 92.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.369 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -129.67 -71.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.515 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.587 ' C ' ' H ' ' A' ' 59' ' ' ILE . 3.1 mt-10 72.28 50.07 0.21 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.8 mm -57.58 0.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.862 0.363 . . . . 0.0 110.453 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.587 ' H ' ' C ' ' A' ' 57' ' ' GLU . 2.8 tt -86.42 -28.28 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' OE1' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -51.53 -17.4 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.51 178.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.96 -42.39 2.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.467 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.21 1.55 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -90.15 18.8 5.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.576 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -114.96 -31.44 6.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.7 tp -79.28 -26.33 42.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 15.6 m-85 -119.07 168.46 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.458 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.0 mp0 -49.43 -49.41 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.53 89.15 0.07 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 mm -48.52 150.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.736 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -92.97 -35.23 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p 177.82 -176.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.447 . . . . 0.0 110.844 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -150.78 150.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.837 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.657 ' ND2' ' H ' ' A' ' 74' ' ' PHE . 1.6 t-20 -157.5 151.18 24.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.257 0.551 . . . . 0.0 111.714 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' H ' ' ND2' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -126.77 147.67 49.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.471 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' LEU . 9.6 m -146.64 -161.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -97.42 159.6 14.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -48.29 -36.64 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.312 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.39 -53.23 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.327 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.37 -50.84 72.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.48 . . . . 0.0 110.253 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.421 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 7.2 t80 -50.69 -41.26 55.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.03 -35.59 77.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.071 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.66 -27.67 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CG ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -67.95 -43.43 79.08 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.565 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -84.33 -16.7 42.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.861 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.38 -23.59 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.722 0.296 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -36.97 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.587 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 74.8 t80 -63.98 -47.5 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.52 -37.01 74.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.712 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -39.91 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -34.49 78.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -64.07 -49.02 73.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.326 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t -59.81 -24.9 64.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -39.47 91.79 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.5 mt -59.17 -42.04 89.84 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLU . 18.5 ttpp -37.2 -56.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.92 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.38 -41.49 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -67.3 -63.21 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.73 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.35 26.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.3 tm-20 -50.35 -55.75 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.174 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -78.95 2.1 21.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.281 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.7 m -123.26 55.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.505 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.608 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -80.1 -62.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.325 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.608 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -29.07 -62.27 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -43.15 -50.49 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' O ' ' A' ' 27' ' ' LYS . 58.4 t-80 -60.77 -49.03 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.243 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.81 -2.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.751 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 17.0 tptt -96.11 -74.59 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.577 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 27' ' ' LYS . 32.9 m-85 -101.76 -75.8 0.59 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.876 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 27' ' ' LYS . 87.0 mt -38.03 -24.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.974 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 26' ' ' ILE . 71.4 mttt 9.39 -109.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.326 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 29' ' ' ILE . 24.3 t0 -151.44 66.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.079 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' A' ' 28' ' ' ASP . 2.7 mt -59.39 -138.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.437 ' H ' ' CG2' ' A' ' 29' ' ' ILE . 4.5 p30 -174.99 33.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.39 93.78 2.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.399 0.618 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 4' ' ' PHE . 32.3 p90 -148.83 134.84 19.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.017 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 m -127.41 128.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 111.472 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 9.1 p90 -129.9 53.19 1.94 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.109 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 16.8 ttmt -119.04 45.11 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 38' ' ' VAL . 57.3 m-80 -159.73 24.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' GLY . 4.2 t-20 75.74 -12.45 0.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.316 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 36' ' ' ASN . 2.6 t -119.64 168.82 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.016 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -129.54 124.18 33.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.916 0.389 . . . . 0.0 111.135 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 148.13 43.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -142.47 138.21 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.8 mm? -63.15 133.26 54.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.23 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.7 tp -153.5 109.54 3.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.355 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 98.3 mt-10 -90.52 -57.61 2.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.518 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 14.3 m-80 -37.08 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.004 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.6 tt0 -40.84 -26.98 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 50' ' ' ASN . 23.0 t80 -70.5 -71.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 0.0 110.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.89 -30.83 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.387 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -81.72 -31.82 31.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.144 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t30 -56.25 -44.9 80.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.2 -50.05 6.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.607 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -47.72 -53.64 14.54 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.256 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -72.05 -10.76 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.799 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -73.93 -30.48 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -158.93 80.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.981 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 58' ' ' ILE . 7.6 t -107.69 58.17 0.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 9.9 mp0 -72.99 31.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.56 ' H ' ' C ' ' A' ' 56' ' ' SER . 86.0 mt -56.65 -19.56 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -67.13 -0.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.482 0.658 . . . . 0.0 109.333 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.511 ' H ' ' C ' ' A' ' 58' ' ' ILE . 18.9 m170 -76.06 -25.05 55.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.248 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.61 -40.11 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -48.83 -30.61 5.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.1 33.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.38 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 62' ' ' ALA . 11.4 m -130.17 -45.93 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.493 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.417 ' HB3' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -60.27 -23.84 64.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 27.0 p90 177.97 111.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.926 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.69 164.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.698 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.419 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 110.6 -0.36 29.16 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.8 mm -65.91 127.65 27.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.394 . . . . 0.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -99.92 -30.76 11.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.0 t 173.65 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.208 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.606 ' N ' ' OG ' ' A' ' 71' ' ' SER . 20.0 t -147.32 145.66 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -163.61 157.78 19.82 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.723 0.773 . . . . 0.0 112.058 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.736 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.42 143.83 35.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.807 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 43' ' ' LEU . 31.1 m -148.12 -161.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.104 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.73 161.89 13.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.979 0.419 . . . . 0.0 111.018 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -36.88 -70.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.573 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -48.94 -52.99 21.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.628 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.19 -65.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 4.4 t80 -42.19 -47.97 4.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.5 t80 -56.42 -66.56 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.214 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' C ' ' O ' ' A' ' 81' ' ' PHE . 49.0 t80 -29.28 -40.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.4 m-80 -74.03 -49.64 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.076 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 81' ' ' PHE . 41.5 tp -74.78 -18.38 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -74.58 -19.18 60.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 -179.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 6' ' ' ALA . 84.5 mt-10 . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.719 0.295 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.8 tp60 -41.67 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -44.0 -48.07 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 51.0 t30 -63.51 -23.15 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -82.57 -63.72 1.32 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -55.44 -41.79 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.6 -44.27 82.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.981 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 10.8 p -60.23 -21.37 61.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.505 -179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.98 -40.7 83.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.7 mt -57.74 -46.24 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLU . 61.7 tttm -37.31 -54.89 1.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 4.4 mmtm -51.77 -43.54 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.109 0.48 . . . . 0.0 109.9 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.6 t60 -68.79 -61.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -85.87 29.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.67 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.581 ' OE2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -55.34 -23.35 23.38 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.96 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 39.1 mtmt -98.86 -42.97 6.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 110.367 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -83.04 46.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.796 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.626 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 2.2 tt -60.62 -63.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.326 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.626 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -28.34 -61.55 0.12 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -45.15 -47.6 12.27 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.589 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.3 t-80 -66.36 -22.13 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 20' ' ' GLY . 12.0 t70 -83.41 -7.04 59.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -91.81 -68.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.579 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.6 m-85 -110.35 -66.28 1.08 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.761 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.3 mm -42.03 -17.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.714 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' TYR . 84.5 tttt -15.66 -97.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.661 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 32.3 p-10 -148.35 52.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.492 HG21 ' H ' ' A' ' 30' ' ' ASN . 1.6 mt -41.38 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.492 ' H ' HG21 ' A' ' 29' ' ' ILE . 11.7 m-80 -125.4 22.07 7.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.441 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -136.1 88.14 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.378 0.609 . . . . 0.0 110.742 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -148.79 127.57 12.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.071 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -119.64 127.16 75.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.28 0.562 . . . . 0.0 111.977 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -123.67 130.02 52.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.122 179.259 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 40.0 mtmt -120.96 -57.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.365 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.0 t30 160.7 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.44 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -87.81 -45.67 10.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.735 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 48.3 t -154.66 166.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.16 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 2.7 mp -125.16 123.73 40.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.529 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.23 143.81 46.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.134 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -140.03 135.09 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.657 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.1 mm? -64.28 132.6 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.251 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.0 tp -162.18 93.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.321 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -86.44 -23.49 26.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.258 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.427 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 52.1 m-80 -48.21 115.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.69 -33.25 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 50' ' ' ASN . 95.0 m-85 -73.98 -72.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.758 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.63 -33.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -79.39 -36.03 39.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.562 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.5 t-20 -54.58 -44.7 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.309 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -46.48 9.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.435 -178.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' ' OG ' ' A' ' 56' ' ' SER . 25.9 mt -47.69 -54.19 12.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.307 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -73.45 -10.19 59.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.245 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.66 -30.79 56.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.305 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -165.54 60.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -83.63 -93.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mm-40 70.49 46.02 0.58 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.5 mm -64.4 3.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.845 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.495 ' H ' ' C ' ' A' ' 57' ' ' GLU . 9.0 tt -86.25 -34.79 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -46.33 -12.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.701 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -131.22 -48.62 1.0 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.18 -20.13 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.547 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.13 2.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.349 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' TYR . 69.8 m -96.31 -69.53 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.16 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.2 tp -38.54 -23.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.923 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.9 m-85 -118.57 -174.9 2.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.276 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.67 -40.59 72.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.75 78.25 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mm -41.81 142.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.611 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -79.6 -38.5 33.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p -179.09 -178.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 t -149.18 147.91 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.814 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -164.51 145.93 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.587 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 5.2 m-85 -116.92 141.91 47.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.506 -1.224 . . . . 0.0 108.87 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LEU . 6.6 m -142.92 -166.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.02 157.58 16.24 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.236 0.541 . . . . 0.0 111.521 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -38.0 -46.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.287 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -70.05 -47.26 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.007 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -52.11 -63.69 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.922 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.08 -37.84 16.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -63.81 -32.95 74.63 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.02 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 65.1 t80 -61.26 -30.77 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -91.72 18.36 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.377 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.1 tp -92.81 -18.13 23.26 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.67 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.47 -26.1 12.53 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.734 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.561 ' NZ ' ' CE2' ' A' ' 82' ' ' PHE . 40.8 mmtm . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 121.036 0.446 . . . . 0.0 110.077 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.7 mt-10 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.781 0.324 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 8.7 tt0 -42.31 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CD2' ' CE2' ' A' ' 32' ' ' PHE . 5.0 t80 -44.58 -45.85 9.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.698 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.404 ' O ' ' OG ' ' A' ' 9' ' ' SER . 8.9 t-20 -59.97 -28.15 67.42 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.114 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.76 -60.86 2.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.56 -44.69 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 24.2 ttpp -60.51 -50.09 74.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.486 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 58.2 m -57.58 -21.48 39.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.075 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.39 -37.87 86.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.95 -45.24 94.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.635 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' GLU . 65.3 mttm -39.08 -53.04 1.84 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.6 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.7 t-160 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.678 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -88.29 28.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.599 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.6 tt0 -48.83 -59.44 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -80.77 8.08 8.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.269 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -126.44 53.72 1.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.593 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -84.23 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.893 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.593 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -29.32 -63.89 0.13 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 50.8 t80 -40.5 -49.66 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.0 t-80 -63.06 -61.82 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.396 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.26 -13.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.004 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -101.85 -60.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.605 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 61.8 m-85 -75.71 -71.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.549 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -64.94 -65.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' HIS . 6.8 ttmm 67.16 -71.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -172.72 101.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.2 mm -83.11 -150.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.455 ' H ' HG22 ' A' ' 29' ' ' ILE . 2.0 t-20 -170.07 20.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.251 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -143.0 99.45 3.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.033 0.444 . . . . 0.0 110.618 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' CD2' ' A' ' 4' ' ' PHE . 29.7 p90 -148.51 117.72 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.84 145.59 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.203 0.525 . . . . 0.0 112.075 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.72 61.18 1.68 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.729 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -127.13 41.15 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -158.35 35.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.37 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 57.53 17.39 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.397 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -150.25 163.39 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mp -119.85 116.94 26.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 0.0 110.283 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -118.02 145.04 45.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.2 mt -143.17 138.47 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.1 mm? -64.27 139.25 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.021 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 tp -156.8 103.64 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -87.25 -34.04 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -45.61 113.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.92 -50.3 64.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.08 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 34.6 m-85 -57.78 -63.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 109.988 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ARG . . . -40.26 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 27.9 ttt-85 -36.34 -37.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.006 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 4.2 t-20 -54.66 -57.43 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.428 0.633 . . . . 0.0 110.546 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -48.75 22.12 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.098 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -46.29 -57.19 4.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -70.46 -10.59 59.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.919 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.77 -27.75 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.407 HD22 ' C ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -156.59 71.56 0.7 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.147 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.0 p -102.52 54.47 0.78 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.47 41.41 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.283 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.518 ' H ' ' C ' ' A' ' 56' ' ' SER . 10.5 mm -66.35 -13.65 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 70' ' ' LYS . 3.3 tt -71.85 -6.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.484 0.659 . . . . 0.0 109.56 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -34.79 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.09 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.28 -43.0 3.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -179.277 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.659 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -43.55 -31.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -65.52 31.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.072 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.659 ' H ' ' C ' ' A' ' 62' ' ' ALA . 3.0 t -135.9 96.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.745 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 64' ' ' SER . 3.7 mt 146.5 -27.91 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.816 0.697 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.511 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 9.0 m-85 -118.44 -175.38 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.15 -25.88 67.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.165 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 157.99 83.25 0.04 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 70' ' ' LYS . 8.3 mm -48.17 157.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.413 . . . . 0.0 110.671 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 8.4 tttp -100.78 -106.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.663 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 70' ' ' LYS . 71.2 m -103.53 177.11 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.422 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -145.89 143.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.768 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.576 ' ND2' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -170.8 157.89 5.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.497 0.665 . . . . 0.0 112.181 -179.692 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.672 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -127.73 148.35 50.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.174 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 13.9 m -145.44 -156.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.282 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -107.28 162.43 13.91 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 -179.471 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' ASN . 35.5 tp10 -35.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.679 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -49.91 -51.84 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.797 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -63.29 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -41.63 -49.51 4.15 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.2 t80 -53.54 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.937 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 81' ' ' PHE . 64.3 t80 -32.02 -39.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.9 t-20 -78.85 -51.67 9.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.56 -11.57 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -83.44 -23.44 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.412 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? . . . . . 0 C--N 1.333 -0.148 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.227 -0.083 0 CA-C-O 120.706 0.289 . . . . 0.0 110.458 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.2 tt0 -39.39 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 4.1 t80 -45.86 -43.27 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.665 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.419 ' O ' ' OG ' ' A' ' 9' ' ' SER . 6.8 t-20 -63.57 -25.44 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.74 -63.65 1.33 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 1.4 t80 -55.02 -40.13 69.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.16 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 19.6 ttpp -68.87 -43.54 75.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 38.8 m -63.75 -17.35 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.841 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.475 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -76.46 -29.41 56.92 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.68 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 14' ' ' HIS . 4.8 mt -67.2 -42.44 84.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLU . 90.1 mttt -38.48 -51.85 1.58 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.994 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' CA ' ' HZ1' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -50.56 -43.7 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.397 0.617 . . . . 0.0 109.494 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.9 t-160 -69.36 -61.33 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.317 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.36 30.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.8 tt0 -41.84 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.811 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 19' ' ' ILE . 16.1 mtpp -74.24 -25.54 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -72.44 41.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.668 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.636 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 2.8 tp -70.26 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.636 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -27.97 -39.48 0.01 OUTLIER Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' ILE . 83.9 t80 -75.63 -48.49 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.334 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.1 t-80 -65.92 -16.62 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -90.6 -5.18 56.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -89.8 -71.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.732 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 9.2 m-85 -111.85 -59.72 1.95 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.3 mm -41.51 -49.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.211 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 26' ' ' ILE . 63.0 tttt 18.64 -130.93 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.424 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 29' ' ' ILE . 10.9 t70 -125.5 68.5 1.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.162 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' ASP . 1.3 mt -58.15 -145.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.449 ' H ' ' CG2' ' A' ' 29' ' ' ILE . 37.3 p-10 -167.62 23.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -135.52 87.73 2.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.332 0.586 . . . . 0.0 110.514 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 51.2 p90 -149.84 125.97 10.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.034 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.45 143.03 42.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.063 0.458 . . . . 0.0 111.62 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 8.7 p90 -134.66 56.78 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.872 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -122.13 53.0 1.24 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.563 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -174.98 53.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.207 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.9 p30 42.64 17.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ASN . 97.5 t -148.61 160.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 39' ' ' LEU . 5.7 mp -121.8 119.82 32.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.58 143.33 46.85 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.4 mt -139.15 136.7 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.185 0.517 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 132.54 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.651 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' VAL . 57.1 tp -158.52 108.19 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.283 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -90.1 -49.13 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.525 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 17.1 m-80 -42.19 118.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -67.3 -35.81 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.654 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' ASN . 68.1 m-85 -63.36 -68.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 109.967 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.87 -40.31 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.375 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -71.05 -38.59 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.378 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' PHE . 18.5 t-20 -52.02 -49.6 63.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.941 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.74 -43.86 13.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.623 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 56' ' ' SER . 29.4 mt -51.56 -48.81 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.902 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -77.74 -12.55 59.98 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.0 -27.71 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -150.83 57.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.198 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.544 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.6 m -77.16 45.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.505 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.85 29.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.445 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.544 ' H ' ' C ' ' A' ' 56' ' ' SER . 26.8 mm -63.27 -19.65 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.46 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 5.1 tt -67.23 1.98 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.426 0.631 . . . . 0.0 109.808 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 58' ' ' ILE . 23.0 m170 -78.35 -49.04 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.929 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.567 ' H ' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -100.7 -41.75 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.801 -179.059 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.97 -33.77 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -81.63 29.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.759 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -109.34 -34.67 6.48 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.3 -76.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 42.4 p90 -119.48 114.03 21.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -54.63 158.1 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.4 -10.93 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.55 89.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.082 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -66.35 -34.93 79.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.949 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.4 t 179.06 -176.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.526 ' N ' ' OG ' ' A' ' 71' ' ' SER . 4.2 t -144.6 141.3 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.74 HD22 ' H ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -157.51 153.0 26.33 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.453 0.644 . . . . 0.0 111.826 -179.29 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.74 ' H ' HD22 ' A' ' 73' ' ' ASN . 0.1 OUTLIER -127.4 145.69 50.73 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.62 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' LEU . 5.8 m -147.22 -169.69 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -90.68 155.63 18.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.067 0.46 . . . . 0.0 111.171 -179.457 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -41.15 -42.84 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.802 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -70.81 -50.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.724 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 76' ' ' ASN . 3.3 m-20 -56.31 -53.75 53.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.171 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -55.54 -44.4 76.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.78 -35.25 72.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.136 0.493 . . . . 0.0 110.588 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.54 -27.5 67.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.791 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -68.99 -42.86 75.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.586 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -85.83 -18.03 34.03 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.453 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.22 -27.3 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.743 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.3 mt-10 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 6' ' ' ALA . 2.1 tp-100 -44.92 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -43.22 -51.14 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.73 -26.6 65.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.514 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -80.35 -60.47 2.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -44.96 96.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -62.07 -48.78 78.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -57.65 -27.2 62.63 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.047 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.21 -30.36 70.8 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.013 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.1 mt -68.18 -44.24 76.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 11' ' ' LEU . 43.5 tttp -36.99 -55.05 0.94 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -53.21 -40.56 64.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.1 t60 -71.2 -62.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.523 ' CD1' ' OG1' ' A' ' 18' ' ' THR . 3.1 m-85 -78.2 22.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 14' ' ' HIS . 37.1 tt0 -48.08 -27.55 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.584 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 19' ' ' ILE . 86.3 mttt -91.13 -47.01 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.743 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' A' ' 15' ' ' TYR . 7.8 p -70.65 41.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.7 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 5.0 tt -58.34 -85.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.2 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.7 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -28.23 -57.73 0.13 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' GLY . 76.7 t80 -39.58 -47.64 1.96 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.603 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.8 t-80 -62.31 -52.0 65.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.173 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.57 -2.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.665 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.569 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -96.86 -74.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.408 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' LYS . 7.0 m-85 -102.82 -66.8 0.91 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.052 -0.659 . . . . 0.0 112.088 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 26' ' ' ILE . 5.7 mm -38.72 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.193 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 25' ' ' TYR . 70.3 tttt -81.75 -39.0 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.716 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 25' ' ' TYR . 37.7 t70 -68.8 -35.42 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.006 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 30' ' ' ASN . 72.9 mt -43.09 158.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.43 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 30.9 p30 -164.24 16.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -135.86 113.23 10.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 110.785 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -152.91 129.35 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.74 143.22 41.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.323 0.582 . . . . 0.0 111.829 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.68 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.4 t80 -131.27 54.01 1.95 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.808 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' C ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -135.14 90.01 2.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 1.2 p30 169.02 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.069 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 21.7 p-10 142.23 10.3 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.073 0.858 . . . . 0.0 110.629 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 40.3 t -153.95 170.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 6.2 mp -118.39 115.36 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 145.33 45.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.342 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.09 134.75 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -66.73 133.66 50.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.7 tp -150.83 108.56 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.18 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -90.38 -40.05 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.729 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 25.0 m120 -42.26 114.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -68.23 -39.51 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.067 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -62.33 -66.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.014 0.435 . . . . 0.0 109.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' SER . . . -43.11 -69.47 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.107 0.48 . . . . 0.0 110.031 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 14.4 ttp85 -36.05 -40.46 0.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.248 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 11.6 t-20 -57.71 -47.82 81.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.517 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 25.7 p -81.16 -55.07 4.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.592 -1.186 . . . . 0.0 112.643 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' N ' ' OG ' ' A' ' 51' ' ' SER . 33.8 mt -44.05 -54.73 5.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.817 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.597 HD22 ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -70.73 -11.14 60.76 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.917 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.597 ' N ' HD22 ' A' ' 53' ' ' ASN . 6.6 t70 -72.4 -29.41 63.71 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.417 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.7 t30 -149.83 62.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.812 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -96.43 51.27 1.18 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.201 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 59' ' ' ILE . 13.2 mt-10 -79.2 47.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.1 mm -62.8 0.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.381 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.445 ' H ' ' C ' ' A' ' 57' ' ' GLU . 2.5 tt -89.02 -29.1 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -55.75 -14.37 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.789 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.608 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -126.39 -48.54 1.56 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 8.93 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.608 ' H ' ' C ' ' A' ' 61' ' ' LEU . 16.7 pt-20 -90.16 26.15 1.97 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.635 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' TYR . 72.1 p -121.79 -69.23 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.711 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.58 -27.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.958 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.3 m-85 -119.27 170.62 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.4 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -59.13 -31.14 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.88 85.4 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mm -47.2 146.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.464 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -39.43 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.151 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 20.2 t -174.87 175.94 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.419 ' N ' ' OG ' ' A' ' 71' ' ' SER . 8.7 t -148.91 147.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.996 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 9.2 t-20 -173.28 159.52 3.82 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.612 0.72 . . . . 0.0 112.011 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.584 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -131.43 148.5 52.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.062 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.66 -155.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' GLU . 1.3 m-20 -106.01 161.37 14.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' ASN . 9.7 tm-20 -35.38 -68.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.585 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.95 -50.69 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.171 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -51.56 -62.03 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.689 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.407 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 8.2 t80 -40.9 -46.73 2.84 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 0.0 110.33 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' ASN . 59.6 t80 -55.46 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' PHE . 24.0 t80 -35.69 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 13.0 t30 -75.75 -51.99 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.407 ' CD2' ' CZ ' ' A' ' 80' ' ' PHE . 1.8 pp -80.4 -15.94 55.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 110.494 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -77.96 -32.92 51.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.2 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.1 tt0 -42.77 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.256 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.597 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 1.6 p90 -45.04 -44.96 10.54 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.089 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.597 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -62.4 -26.92 68.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.512 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -79.13 -61.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.365 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -42.31 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 109.913 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -67.74 -45.64 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 11.4 p -57.91 -21.64 44.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.095 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -45.93 65.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.361 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.3 mt -51.81 -44.17 63.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLU . 3.7 ttmp? -38.7 -62.32 0.62 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.051 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -41.04 3.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.5 . . . . 0.0 110.119 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -71.39 -60.85 2.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.261 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -90.88 31.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.384 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 12' ' ' LYS . 5.1 pt-20 -47.72 -47.89 29.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.756 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -93.28 2.56 56.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -124.81 46.62 2.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.574 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 15.2 tt -88.24 -59.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.724 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.574 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -30.51 -59.46 0.23 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' GLY . 20.1 t80 -39.54 -46.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 19' ' ' ILE . 13.6 t-80 -63.0 -57.61 10.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.532 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -15.32 12.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -57.76 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -77.7 -73.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.469 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -62.23 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.281 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 22' ' ' HIS . 23.9 mtmt 64.93 -176.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -55.89 80.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.5 tp -53.09 163.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.035 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.454 ' H ' HG13 ' A' ' 29' ' ' ILE . 20.5 m120 -145.74 8.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.558 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.47 88.67 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.37 0.605 . . . . 0.0 110.456 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -159.46 145.31 16.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.232 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -149.04 152.13 12.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.124 0.488 . . . . 0.0 111.473 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 12.3 p90 -137.11 63.2 1.57 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.011 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -119.85 21.87 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 38' ' ' VAL . 77.8 m-20 -128.09 29.14 5.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.848 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 74.88 -18.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.0 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.564 ' CG1' ' H ' ' A' ' 39' ' ' LEU . 15.9 t -118.5 178.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.379 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.564 ' H ' ' CG1' ' A' ' 38' ' ' VAL . 5.8 mp -123.18 121.39 35.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -118.59 144.02 46.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.657 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.01 131.1 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.112 0.482 . . . . 0.0 110.693 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -78.56 90.46 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' VAL . 26.8 tp -99.72 120.5 39.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.109 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' ASN . 34.3 mt-10 -91.24 -71.41 0.63 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.824 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 88.1 m-20 -29.42 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.945 -178.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.26 -40.81 25.87 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.9 m-85 -60.23 -66.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 0.0 109.814 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.59 -32.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.518 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.62 ' NH1' ' ND2' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -82.66 -32.95 27.92 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.796 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -52.63 -47.21 67.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.498 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -44.63 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.674 -178.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' OG ' ' A' ' 56' ' ' SER . 26.0 mt -47.71 -55.49 9.39 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.264 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -72.17 -9.72 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.839 -179.461 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.84 -31.9 59.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.353 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -165.88 68.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 1.6 m -91.23 -91.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 71.93 51.29 0.22 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.652 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.434 ' O ' ' CG2' ' A' ' 58' ' ' ILE . 51.7 mt -71.91 -0.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.167 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.433 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 4.2 tt -83.86 -3.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -75.85 -10.69 59.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.068 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -138.69 -35.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.6 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.579 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -61.03 -25.23 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.342 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.59 34.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.108 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.579 ' H ' ' C ' ' A' ' 62' ' ' ALA . 33.4 m -129.71 -31.64 1.97 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.991 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tp -86.81 -25.34 24.63 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.565 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.429 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 18.9 m-85 -117.82 -172.83 2.32 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.6 95.7 10.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.783 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 40.62 73.35 0.2 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLY . 3.4 mm -38.59 141.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.469 ' O ' ' OG ' ' A' ' 71' ' ' SER . 40.2 mttm -84.22 -39.44 19.31 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.596 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.8 m -179.25 -178.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.988 0.423 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 t -149.15 146.9 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.64 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -165.55 165.44 18.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.099 0.476 . . . . 0.0 111.429 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -129.56 165.18 22.22 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.431 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -153.13 -164.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.522 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.62 ' ND2' ' NH1' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -122.68 178.39 5.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.107 0.48 . . . . 0.0 111.433 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -34.11 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.255 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.92 -51.03 69.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.6 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.462 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 7.4 m-20 -52.57 -61.2 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.39 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.82 -43.65 8.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.214 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.9 t80 -60.4 -67.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' PHE . 78.9 t80 -28.55 -38.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.03 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.0 t30 -76.8 -50.22 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.308 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . 43.2 tp -74.3 -25.3 59.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -71.17 -9.57 58.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.526 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.709 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 6' ' ' ALA . 8.5 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.788 0.328 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' ALA . 11.4 tt0 -41.44 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -43.48 -49.23 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.899 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 11.2 t-20 -61.16 -27.34 68.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.519 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.65 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.862 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -56.0 -44.11 78.32 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.614 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 24.2 ttmt -65.44 -44.15 88.23 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 7.1 p -57.64 -24.74 58.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.403 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -40.92 97.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 14' ' ' HIS . 22.1 mt -58.8 -48.28 81.81 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' LEU . 56.0 tttm -36.48 -57.33 0.76 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.976 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -51.2 -43.31 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.122 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -68.35 -65.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.392 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -77.95 24.06 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 14' ' ' HIS . 5.1 tp10 -46.67 -63.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.446 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -79.67 -0.58 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.2 41.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.662 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 12.4 tt -77.55 -67.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.662 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -29.1 -37.05 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 19' ' ' ILE . 72.9 t80 -77.24 -48.95 16.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.038 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 55.4 t-80 -62.77 -25.83 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.651 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.42 -5.43 59.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.343 0.592 . . . . 0.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -92.41 -53.02 4.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.566 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 29.1 m-85 -120.69 -70.62 0.78 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.618 -0.833 . . . . 0.0 112.174 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.535 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.9 mt -41.18 -41.94 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.641 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 26' ' ' ILE . 23.3 ttpp 22.85 -107.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.44 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 29' ' ' ILE . 45.2 t0 -157.01 71.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.327 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.462 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 1.4 mt -57.72 -149.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.503 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' A' ' 29' ' ' ILE . 47.6 m-20 -154.67 23.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.447 ' NE ' ' O ' ' A' ' 30' ' ' ASN . 2.8 mmp_? -136.12 90.87 2.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.343 0.592 . . . . 0.0 110.72 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 48.8 p90 -147.57 127.51 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.72 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.81 139.76 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.181 0.515 . . . . 0.0 112.032 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -134.16 141.59 47.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.847 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 28.9 mtmm -120.03 -34.79 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 12.1 t30 140.31 -18.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.995 0.809 . . . . 0.0 109.603 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -99.32 -42.02 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.205 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.7 t -148.53 157.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.363 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -127.68 127.53 43.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.107 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.06 143.71 46.97 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.901 0.382 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.8 mt -139.51 136.6 40.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.09 134.59 57.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.282 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' VAL . 14.2 tp -159.06 100.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.698 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 46' ' ' GLU . 25.6 mt-10 -87.29 -55.98 3.57 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.394 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.608 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 17.8 m120 -35.02 89.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.4 tt0 -40.26 -30.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 50' ' ' ASN . 74.6 t80 -68.39 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.81 -28.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.452 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.563 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 0.1 OUTLIER -85.25 -33.59 22.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.949 0.404 . . . . 0.0 110.1 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.9 t-20 -55.03 -41.64 71.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -49.58 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.691 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -46.68 -58.75 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -11.02 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.71 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.24 -29.13 53.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.954 0.407 . . . . 0.0 110.27 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -165.1 52.67 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -80.28 -89.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.567 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 70.4 50.26 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.05 -5.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.2 tt -79.69 -7.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.259 0.552 . . . . 0.0 109.597 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -72.77 -15.65 61.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.036 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -129.84 -45.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 0.0 109.781 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -54.58 -24.95 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.292 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.66 1.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' A' ' 65' ' ' LEU . 25.1 p -96.38 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.985 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.539 ' N ' ' OG ' ' A' ' 64' ' ' SER . 0.2 OUTLIER -38.53 -24.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.799 -179.515 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.2 m-85 -118.84 175.51 5.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.73 -27.55 69.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.36 84.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mm -44.95 146.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.454 ' O ' ' OG ' ' A' ' 71' ' ' SER . 5.2 mmtp -90.08 -43.48 10.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 1.3 m -169.59 171.23 7.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 t -147.48 145.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.015 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.54 HD22 ' N ' ' A' ' 74' ' ' PHE . 0.5 OUTLIER -164.97 154.68 13.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.482 0.658 . . . . 0.0 111.665 -179.345 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.74 146.1 52.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.385 179.682 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' LEU . 28.4 m -149.13 -160.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.948 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.563 ' OD1' ' NH1' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -99.15 164.41 12.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.2 0.524 . . . . 0.0 111.039 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -37.37 -70.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.601 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -49.15 -52.47 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.959 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 5.2 m-20 -50.19 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.23 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -42.53 -43.83 3.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t80 -58.98 -68.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.324 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.6 t80 -29.97 -38.71 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -73.88 -49.23 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.095 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.8 tp -73.92 -19.18 60.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.051 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.89 -33.47 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.719 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.3 tptt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.753 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 54.2 mt-10 . . . . . 0 C--O 1.228 -0.046 0 CA-C-O 120.854 0.359 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 6' ' ' ALA . 45.5 tt0 -40.8 -80.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.206 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -49.19 -41.25 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -25.2 64.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -73.36 -59.56 2.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -59.14 -52.79 64.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.809 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -53.99 -27.86 34.23 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.953 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.14 -41.64 97.11 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.0 mt -57.3 -44.83 84.42 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -38.59 -56.47 1.29 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -41.8 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.785 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 38.1 t60 -67.48 -68.16 0.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.371 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -73.69 20.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -56.82 -23.0 40.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.313 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -87.0 -66.33 0.92 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 39.64 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.329 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.637 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 12.5 tt -41.36 -65.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.637 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -27.36 -56.26 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -42.55 -47.84 5.24 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.601 ' N ' ' O ' ' A' ' 19' ' ' ILE . 25.0 t-80 -62.79 -47.92 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 7.3 t0 -66.11 2.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.412 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -98.28 -56.38 2.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.891 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LYS . 42.7 m-85 -127.15 -61.17 1.17 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.072 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.423 HG23 HD11 ' A' ' 26' ' ' ILE . 9.9 mm -38.28 -23.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 25' ' ' TYR . 44.4 tttm -81.96 -57.78 3.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.44 89.41 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 tp -158.48 161.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.104 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 30' ' ' ASN . 12.7 t-20 -165.76 19.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.364 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -138.9 108.87 6.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.322 0.582 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CD2' ' N ' ' A' ' 32' ' ' PHE . 9.5 p90 -156.69 138.35 14.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.03 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -145.91 153.36 13.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.304 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -137.6 145.91 43.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.41 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -176.28 -21.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.947 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.511 ' C ' ' H ' ' A' ' 38' ' ' VAL . 62.8 m-80 -119.7 44.72 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.14 4.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.39 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.511 ' H ' ' C ' ' A' ' 36' ' ' ASN . 79.3 t -119.65 156.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.065 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mp -124.86 123.27 39.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.514 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.22 141.28 48.36 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.7 mt -140.49 135.73 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.7 mm? -65.25 136.91 57.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.148 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -159.41 98.58 1.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.78 -28.77 27.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 31.6 m120 -43.49 112.62 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -64.76 -48.18 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.054 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 29.7 m-85 -60.88 -64.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 51' ' ' SER . . . -41.33 -73.18 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.23 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . 29.1 ttt-85 -36.61 -38.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.78 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 1.6 t30 -54.93 -47.73 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.297 0.57 . . . . 0.0 110.311 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -86.24 -48.29 8.67 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.132 -179.07 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -47.0 -53.85 11.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.137 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -73.94 -9.83 59.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.826 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.54 -28.99 61.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.248 0.547 . . . . 0.0 109.558 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -150.85 61.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.984 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 58' ' ' ILE . 77.3 p -83.27 47.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.951 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 59' ' ' ILE . 11.6 pt-20 -75.64 32.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.076 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.527 ' H ' ' C ' ' A' ' 56' ' ' SER . 22.0 mm -60.6 -5.47 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.747 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.421 ' H ' ' C ' ' A' ' 57' ' ' GLU . 7.8 tt -79.7 -12.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.5 -20.86 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.059 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.89 -45.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.021 0.438 . . . . 0.0 110.441 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.06 -15.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.845 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.53 33.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.829 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' TYR . 85.3 p -130.66 -70.26 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.466 ' N ' ' OG ' ' A' ' 64' ' ' SER . 3.4 tm? -37.58 -24.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.438 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.563 ' N ' ' O ' ' A' ' 64' ' ' SER . 13.8 m-85 -118.85 -179.52 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.028 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 6.2 pm0 -69.36 -38.73 78.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.33 89.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.01 137.98 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.795 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -37.37 52.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.846 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 p 178.01 -176.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.684 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.2 144.15 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.535 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 35.2 t-20 -163.82 152.36 13.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.562 0.696 . . . . 0.0 112.346 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.656 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -121.28 153.11 38.1 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.51 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.87 -159.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.242 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.98 153.65 22.26 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.231 0.539 . . . . 0.0 111.129 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 78' ' ' GLN . 2.7 pt-20 -33.41 -53.71 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.443 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.418 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -65.58 -44.67 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.267 -178.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -52.66 -63.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.39 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -46.33 -38.63 9.02 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -28.93 70.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.544 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ASP . 81.0 t80 -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 1.1 t30 -94.37 23.64 5.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.66 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -72.57 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.634 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -48.53 -24.08 1.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.958 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' ALA . 25.9 tptp . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.368 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 6' ' ' ALA . 38.9 mm-40 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.827 0.346 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' A' ' 6' ' ' ALA . 37.0 tt0 -43.14 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.994 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -44.48 27.95 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -55.01 -28.63 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -76.47 -57.2 4.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 7.8 t80 -63.33 -55.78 21.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.4 -54.56 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.705 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -55.33 -28.16 51.89 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.502 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -63.09 -39.84 95.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 14' ' ' HIS . 8.1 mt -60.04 -53.44 57.72 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.6 tttp -34.51 -57.61 0.51 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.107 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -54.74 -43.13 72.42 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.587 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.5 t60 -59.75 -58.58 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.006 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.474 ' CB ' ' HG1' ' A' ' 18' ' ' THR . 3.5 m-85 -92.32 30.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.09 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.8 -36.81 72.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' NZ ' ' CB ' ' A' ' 17' ' ' LYS . 8.1 mtpm? -81.43 -43.61 18.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.182 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.474 ' HG1' ' CB ' ' A' ' 15' ' ' TYR . 1.3 p -78.24 32.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.212 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.702 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 6.2 tt -44.09 -80.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.702 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -26.38 -61.63 0.08 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -45.07 -46.83 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.033 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 19' ' ' ILE . 15.6 t-80 -68.56 -25.55 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' GLY . 9.4 t70 -90.56 -13.8 33.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.228 0.537 . . . . 0.0 109.838 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -89.62 -49.23 6.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.259 -179.059 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 27' ' ' LYS . 68.7 m-85 -118.05 -75.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.312 -0.955 . . . . 0.0 112.348 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.4 HG23 HD11 ' A' ' 26' ' ' ILE . 97.6 mt -39.9 -19.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.345 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 25' ' ' TYR . 2.8 tmtm? -63.6 -31.45 72.62 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.289 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.56 57.42 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 5.7 mm -128.72 144.47 37.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -163.79 21.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.578 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -141.33 121.39 13.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.075 0.464 . . . . 0.0 110.713 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 29.2 p90 -163.74 140.56 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -148.3 161.69 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.713 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.25 73.72 1.45 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.88 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 63.2 mttm -119.26 81.27 1.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 8.1 m-20 161.53 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.774 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -166.37 22.62 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.352 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG1' ' H ' ' A' ' 39' ' ' LEU . 41.6 t -154.61 171.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.08 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.501 ' H ' ' CG1' ' A' ' 38' ' ' VAL . 3.3 mp -119.54 122.76 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.96 139.77 50.26 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 0.0 109.949 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.421 HG21 HD13 ' A' ' 41' ' ' ILE . 54.1 mt -133.31 131.79 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.606 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -63.22 129.75 41.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.157 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 tp -152.59 99.9 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.043 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -80.4 -43.32 21.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.757 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -45.77 111.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.8 tp10 -61.44 -47.05 87.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -58.49 -65.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.875 0.369 . . . . 0.0 110.567 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.09 -32.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.531 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.9 ttp180 -78.08 -41.04 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.08 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -53.85 -35.81 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.326 0.584 . . . . 0.0 110.624 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.32 -47.19 7.91 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.475 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' O ' ' OG ' ' A' ' 56' ' ' SER . 9.8 mt -52.45 -51.91 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.931 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -74.12 -18.98 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.098 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.496 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 23.8 t70 -69.51 -21.66 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.457 HD21 ' CD ' ' A' ' 57' ' ' GLU . 11.5 t-20 -158.5 72.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.026 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.602 ' C ' ' H ' ' A' ' 58' ' ' ILE . 23.7 m -92.14 50.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CD ' HD21 ' A' ' 55' ' ' ASN . 26.5 mt-10 -70.06 34.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.911 0.386 . . . . 0.0 110.315 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.602 ' H ' ' C ' ' A' ' 56' ' ' SER . 31.6 mm -70.46 -0.55 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.2 tt -86.43 -3.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.389 0.614 . . . . 0.0 109.549 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -78.76 -15.32 58.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.967 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.565 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -127.66 -42.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.019 0.437 . . . . 0.0 110.017 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.646 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.32 -24.31 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.652 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.84 32.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.432 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.646 ' H ' ' C ' ' A' ' 62' ' ' ALA . 5.9 m -129.49 -64.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.27 -38.81 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.014 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.603 ' C ' ' H ' ' A' ' 68' ' ' GLY . 40.3 m-85 -120.89 101.79 7.93 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.25 32.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.603 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -157.16 41.92 0.53 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -78.32 110.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' A' ' 71' ' ' SER . 3.9 mmmm -82.2 -35.57 28.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.2 m 178.61 -176.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.197 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.77 134.38 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.864 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 63.0 t30 -136.32 157.33 47.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 111.978 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 3.2 m-85 -137.63 131.49 31.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.057 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.07 -174.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.582 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.429 ' ND2' ' CG ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -89.99 166.52 13.41 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.206 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 77' ' ' GLU . 17.9 mp0 -38.93 -72.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.944 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' PHE . 15.0 tt0 -47.82 -52.84 17.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 82' ' ' PHE . 29.1 m-20 -47.89 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -47.51 -38.32 13.74 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.58 -11.65 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 79' ' ' ASP . 10.7 t80 -78.02 -41.33 36.12 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.84 -25.42 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.279 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.7 mm? -85.85 -13.63 47.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.36 43.46 3.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.684 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 pttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.067 178.877 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 2.2 pm0 . . . . . 0 CA--C 1.526 0.028 0 CA-C-O 120.821 0.343 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 6' ' ' ALA . 22.7 mp0 -42.5 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 2.6 p90 -45.07 -44.96 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.005 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 37.9 t-20 -58.87 -31.45 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.748 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -76.65 -59.56 2.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.75 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -46.93 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.136 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 34.1 ttpt -56.48 -53.74 53.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.018 0.437 . . . . 0.0 110.873 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -57.52 -23.58 51.05 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -36.28 81.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.433 178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 14' ' ' HIS . 10.2 mt -63.95 -45.34 89.58 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.901 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' LEU . 35.0 mtmt -37.41 -55.52 1.05 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.904 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -42.68 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.2 t-80 -64.43 -65.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.972 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.01 25.55 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.021 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.9 tp10 -45.92 -44.8 14.99 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.292 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -78.52 -40.77 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.231 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 44.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.265 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.689 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 10.7 tt -60.29 -74.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.717 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.689 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -27.07 -58.73 0.09 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -40.9 -46.88 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.979 0.418 . . . . 0.0 109.975 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' N ' ' O ' ' A' ' 19' ' ' ILE . 49.5 t-80 -63.11 -56.92 12.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.77 -4.01 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.92 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -93.94 -51.67 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.926 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 61.6 m-85 -129.85 -62.92 0.94 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.043 -0.663 . . . . 0.0 112.247 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.413 HD13 HG23 ' A' ' 26' ' ' ILE . 14.7 mm -37.86 -22.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.728 0.299 . . . . 0.0 111.074 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 29' ' ' ILE . 39.0 tttt -79.84 -147.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 29' ' ' ILE . 19.1 t70 30.63 -84.96 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.746 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 27' ' ' LYS . 97.4 mt -37.08 162.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.473 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 20.5 p30 -168.93 66.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -134.11 116.63 15.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -154.01 149.41 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.041 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.19 144.07 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' C ' ' A' ' 34' ' ' PHE . 6.8 p90 -134.48 145.19 48.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.609 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 20.8 tptt -117.61 -81.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 17.7 m120 -164.78 32.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.362 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 20.8 p-10 -171.94 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.983 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 46.7 t -147.61 162.58 7.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.842 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.417 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 7.3 mp -128.99 130.36 46.57 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.048 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.89 142.44 47.33 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -136.42 133.75 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 1.9 mm? -62.4 136.27 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 111.064 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 75' ' ' VAL . 15.3 tp -163.91 97.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.277 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' A' ' 45' ' ' ASN . 2.8 pp20? -84.45 -37.07 21.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.622 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 10.5 m120 -44.99 113.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.81 -43.42 94.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.524 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' A' ' 50' ' ' ASN . 4.7 m-85 -64.91 -68.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.322 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.83 -32.9 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -80.54 -35.76 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.79 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.4 t-20 -53.58 -54.93 30.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.332 0.587 . . . . 0.0 110.772 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -47.15 46.23 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.344 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.365 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 2.1 t-20 -75.95 -17.71 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.276 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 53.1 m-20 -69.82 -24.67 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.447 HD21 ' CD ' ' A' ' 57' ' ' GLU . 4.9 t30 -155.99 69.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.069 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 58' ' ' ILE . 15.6 p -85.59 47.33 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.04 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.447 ' CD ' HD21 ' A' ' 55' ' ' ASN . 21.8 pt-20 -74.1 31.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.506 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.523 ' H ' ' C ' ' A' ' 56' ' ' SER . 68.0 mt -64.98 -17.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 tt -64.94 -12.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.156 0.503 . . . . 0.0 109.976 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -65.81 -25.37 67.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.137 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.19 -41.86 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.378 . . . . 0.0 110.489 -179.162 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -46.95 -32.98 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.711 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -52.3 -13.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.608 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.643 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 0.5 OUTLIER -91.29 94.03 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.342 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.643 ' HB2' ' O ' ' A' ' 64' ' ' SER . 0.4 OUTLIER 148.48 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.881 0.738 . . . . 0.0 109.702 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 66' ' ' TYR . 10.2 m-85 -117.9 -175.45 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.197 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -85.46 96.77 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 37.93 73.17 0.15 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' GLY . 4.3 mm -37.68 141.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.787 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 47.3 mmtt -82.59 -38.47 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.062 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.567 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 6.4 t 177.67 -175.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.533 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.567 ' N ' ' OG ' ' A' ' 71' ' ' SER . 5.1 t -146.06 141.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.783 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 21.0 t-20 -147.71 161.27 41.53 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.234 0.54 . . . . 0.0 111.594 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.612 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -143.66 145.67 32.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.805 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' LEU . 18.9 m -144.76 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.595 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.0 t30 -119.22 173.81 6.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.614 0.721 . . . . 0.0 111.023 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 72.0 mt-10 -39.23 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.859 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.06 -53.44 33.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.212 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -49.34 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.041 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.04 -37.54 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.88 -24.26 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.039 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.87 -36.0 72.61 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.939 0.4 . . . . 0.0 109.946 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.74 -43.37 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.566 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.24 -18.04 61.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.026 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.33 -18.88 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.256 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.565 -179.26 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.5 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.685 0.279 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.465 ' CD ' ' N ' ' A' ' 4' ' ' PHE . 13.4 tm0? -50.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' N ' ' CD ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -45.11 -58.26 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.343 0.592 . . . . 0.0 109.464 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.43 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.1 t30 -58.87 -23.7 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.204 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -81.99 -60.34 2.26 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.824 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -56.57 -49.25 75.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 109.914 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 27.4 ttpt -59.71 -52.86 63.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.674 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 58.0 m -53.84 -24.34 15.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.028 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' HIS . 17.4 mt -65.67 -47.92 73.83 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 11' ' ' LEU . 22.1 mttm -37.61 -54.95 1.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.257 -0.577 . . . . 0.0 109.482 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -55.93 -41.41 74.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.119 0.485 . . . . 0.0 109.874 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.631 ' NE2' ' HE2' ' A' ' 60' ' ' HIS . 16.0 t-80 -69.08 -66.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.187 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.5 m-85 -74.94 19.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 14' ' ' HIS . 5.0 tm-20 -49.19 -46.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -89.77 14.85 10.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -139.42 54.87 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.623 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 13.9 tt -73.36 -63.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.623 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -26.09 -62.5 0.07 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' A' ' 20' ' ' GLY . 56.5 t80 -35.87 -49.74 0.63 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.591 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.8 t-80 -60.48 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.062 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.07 -6.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.921 0.391 . . . . 0.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -88.86 -77.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.457 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' LYS . 5.9 m-85 -102.41 -75.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.779 -178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.565 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.7 mp -36.73 -29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.535 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' A' ' 26' ' ' ILE . 1.8 ttmp? 19.16 -125.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 28' ' ' ASP . 48.3 p30 -122.69 80.86 1.79 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.27 -161.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.674 ' ND2' HH22 ' A' ' 31' ' ' ARG . 0.6 OUTLIER -169.84 40.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.083 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.674 HH22 ' ND2' ' A' ' 30' ' ' ASN . 5.5 tpp85 -133.16 100.55 4.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.318 0.58 . . . . 0.0 110.678 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -146.39 151.99 38.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.478 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -134.17 119.04 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.325 0.583 . . . . 0.0 111.849 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.63 126.2 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.556 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -120.03 -58.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.194 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.5 t-20 164.63 -23.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.459 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -94.7 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 36.0 t -151.26 164.68 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 111.527 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 5.2 mp -127.12 125.98 42.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.572 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tt -119.73 148.06 43.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.7 mt -140.55 136.87 36.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.7 mm? -60.4 139.98 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' VAL . 27.5 tp -160.45 115.93 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -87.46 -70.45 0.62 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.5 m-80 -32.59 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.612 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . 5.0 pt-20 -42.77 -31.86 0.53 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.072 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.562 ' O ' ' N ' ' A' ' 50' ' ' ASN . 81.7 m-85 -66.82 -65.73 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.925 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.9 -31.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.322 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.24 -32.12 43.74 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -58.52 -55.3 36.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 109.984 -179.816 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -53.2 41.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.705 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.8 mt -48.64 -51.44 28.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.49 -12.81 61.24 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.631 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -72.0 -30.09 64.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 57' ' ' GLU . 12.3 t-20 -151.32 56.37 0.88 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.695 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 58' ' ' ILE . 12.1 p -73.21 46.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.748 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.622 ' C ' ' H ' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -70.44 18.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.553 ' H ' ' C ' ' A' ' 56' ' ' SER . 29.9 mm -49.55 -4.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.247 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.622 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.5 tt -88.73 -26.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.631 ' HE2' ' NE2' ' A' ' 14' ' ' HIS . 23.0 p-80 -59.3 -10.62 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -121.77 -48.2 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.515 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 6.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.142 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 61' ' ' LEU . 10.0 pt-20 -85.19 -4.77 59.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 m -91.3 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.636 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -50.46 -24.49 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -117.53 149.14 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.415 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -45.42 -62.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.26 82.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.5 mm -51.52 153.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.419 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.464 ' O ' ' OG ' ' A' ' 71' ' ' SER . 11.6 tptm -87.84 -36.15 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 3.5 m 176.58 -174.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.23 144.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.539 ' ND2' ' H ' ' A' ' 74' ' ' PHE . 5.9 t-20 -142.53 160.18 40.78 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.41 0.624 . . . . 0.0 111.748 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.539 ' H ' ' ND2' ' A' ' 73' ' ' ASN . 47.0 m-85 -138.83 134.59 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.298 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' LEU . 11.4 m -148.09 -164.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.317 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -102.87 169.26 8.7 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.215 0.531 . . . . 0.0 111.239 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -38.25 -73.04 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.945 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.408 ' C ' ' NE2' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -47.15 -52.92 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.801 -178.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.529 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -49.9 -62.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.282 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -42.01 -42.56 2.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -57.42 -65.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.939 179.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.1 t80 -35.75 -33.41 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' PHE . 17.7 t-20 -73.32 -50.63 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -81.46 -15.48 54.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.593 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -78.52 -24.05 45.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 tptt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 6' ' ' ALA . 16.5 mt-10 . . . . . 0 C--O 1.226 -0.163 0 CA-C-O 120.705 0.288 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.4 tm0? -42.11 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.472 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.522 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 12.2 p90 -47.6 -41.02 20.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -58.89 -30.83 68.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.427 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -71.25 -55.09 8.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.032 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.62 -40.35 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.412 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 22.4 ttpp -60.61 -51.1 70.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.786 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -57.51 -25.24 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.342 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.32 -39.47 93.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.94 -44.54 96.55 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.794 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 11' ' ' LEU . 2.1 tttp -36.32 -57.8 0.72 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -50.99 -39.27 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.923 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.7 t60 -70.58 -61.79 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.268 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -84.78 26.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' LYS . 11.6 tm-20 -56.07 -32.48 64.16 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.325 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -95.7 5.59 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -131.34 66.8 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.653 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 5.3 tp -77.44 -64.81 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.653 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -28.2 -62.77 0.11 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLY . 52.1 t80 -38.47 -50.13 1.52 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.113 0.482 . . . . 0.0 109.846 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.535 ' C ' ' H ' ' A' ' 24' ' ' LYS . 32.8 t-80 -62.94 -59.33 4.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.981 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -57.13 -5.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.086 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.537 ' NZ ' ' OH ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -94.45 -53.58 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.529 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 27' ' ' LYS . 50.8 m-85 -129.63 -66.48 0.8 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.13 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 mm -41.12 -16.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.344 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.3 tttm -84.92 -38.03 19.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' TYR . 24.5 t70 -89.19 59.76 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 30' ' ' ASN . 63.6 mt -142.21 160.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.091 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.48 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 43.0 p-10 -167.0 29.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.829 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -138.09 111.99 8.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.261 0.553 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.9 p90 -145.74 160.86 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.395 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -149.7 125.59 2.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.188 0.518 . . . . 0.0 111.866 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.3 t80 -126.69 54.02 1.63 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.482 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 17.2 tptm -121.56 84.51 2.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.8 p30 160.72 -102.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.075 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -153.85 17.45 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.951 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -149.33 162.7 4.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.78 119.87 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.64 146.22 44.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.975 0.417 . . . . 0.0 110.275 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.7 mt -141.31 137.16 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 134.73 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.462 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tp -161.81 103.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.181 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 mp0 -90.38 -42.97 10.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.07 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.533 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -37.7 117.55 0.58 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.992 0.425 . . . . 0.0 110.861 -179.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.41 -42.68 99.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.761 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' ASN . 52.8 t80 -67.58 -68.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.302 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.16 -32.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.803 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -81.5 -36.37 29.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.937 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.0 t-20 -53.91 -55.88 22.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.359 0.599 . . . . 0.0 110.727 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.24 -47.61 56.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.281 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -48.87 -56.44 8.76 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.973 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -70.76 -12.33 61.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.822 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.01 -29.35 65.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 24.9 p-10 -165.29 82.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.057 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 58' ' ' ILE . 2.8 p -111.64 59.26 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 59' ' ' ILE . 7.2 mp0 -72.29 41.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.192 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' A' ' 56' ' ' SER . 13.6 mm -63.16 -1.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.0 tt -88.33 -2.75 9.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -20.53 55.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.685 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -119.91 -40.04 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.013 0.435 . . . . 0.0 110.078 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -64.13 -10.47 22.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.556 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.8 17.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.654 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' TYR . 61.7 m -119.16 -69.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -39.85 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.952 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 57.0 m-85 -119.29 -169.45 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.713 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.33 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.297 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.01 84.09 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 mm -53.29 142.64 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.465 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -86.29 -38.01 17.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.67 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -176.51 179.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.3 t -146.82 145.32 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.851 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -166.94 160.52 14.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.68 0.753 . . . . 0.0 111.878 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.734 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.42 145.27 47.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.112 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 80' ' ' PHE . 21.6 m -148.48 -175.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.083 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 159.49 28.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 78' ' ' GLN . 12.2 tm-20 -37.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.569 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.461 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 4.7 mt-30 -47.85 -53.36 15.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.37 -63.55 1.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.6 t80 -42.56 -50.76 5.3 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.753 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -57.63 -62.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' A' ' 81' ' ' PHE . 23.0 t80 -27.91 -40.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 110.673 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -63.73 -41.52 98.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.753 ' N ' ' O ' ' A' ' 81' ' ' PHE . 2.8 mm? -75.33 -11.46 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.047 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.05 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.76 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.9 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.785 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.3 pp20? . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.856 0.36 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.8 tt0 -45.0 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 23.5 m-85 -41.49 -51.5 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 109.852 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.506 HD22 ' C ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -59.21 -29.79 67.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.767 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -81.43 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.128 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -48.77 80.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.197 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 32.2 ttpt -60.41 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 49.4 m -52.76 -27.28 17.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.53 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -50.17 75.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 14' ' ' HIS . 9.3 mt -51.26 -45.72 62.15 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LEU . 16.2 tttm -38.41 -56.06 1.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.976 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 t60 -71.41 -63.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.691 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.85 24.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -54.76 -35.5 63.84 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.426 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -88.46 -30.36 19.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 44.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.713 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 6.5 tt -53.82 -85.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.713 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -23.75 -62.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -42.39 -46.51 4.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 19' ' ' ILE . 51.9 t-80 -67.33 -24.56 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.758 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 t70 -90.13 -2.11 58.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -70.55 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.707 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' O ' ' N ' ' A' ' 27' ' ' LYS . 9.4 m-85 -110.77 -69.95 0.84 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.588 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.7 mp -40.77 -15.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.346 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' O ' ' A' ' 25' ' ' TYR . 74.5 tttt -6.34 -63.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ILE . 42.7 t0 -155.25 -30.03 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.233 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 30' ' ' ASN . 29.6 mm 53.08 166.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.51 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 89.0 m-20 -146.92 11.93 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.219 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -136.81 95.6 3.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.208 0.528 . . . . 0.0 111.063 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.04 149.55 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.131 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 m -149.08 134.24 10.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.195 0.522 . . . . 0.0 111.712 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 5.9 p90 -135.5 49.6 2.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 11.8 ptmm? -127.25 43.19 3.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.463 ' C ' ' H ' ' A' ' 38' ' ' VAL . 82.4 m-20 -157.27 40.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.099 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 56.29 8.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.346 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' H ' ' C ' ' A' ' 36' ' ' ASN . 39.4 t -146.05 156.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -119.8 115.23 23.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.954 0.407 . . . . 0.0 110.776 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tt -119.67 147.35 44.66 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.569 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.0 mt -143.77 138.1 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.2 mm? -63.3 136.01 57.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.575 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.2 tp -159.2 97.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' GLU . 21.6 pt-20 -90.82 -40.97 11.47 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.481 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -42.84 87.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.983 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' GLU . 35.1 tt0 -32.46 -44.57 0.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.012 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.2 m-85 -60.61 -69.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.52 -34.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.382 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.09 -31.76 39.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.984 0.421 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 47' ' ' PHE . 19.3 t30 -54.94 -45.73 74.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.928 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -47.23 7.88 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.648 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 mt -49.1 -53.13 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.471 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -74.19 -10.79 59.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.845 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.6 -30.58 63.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -148.95 61.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.176 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 58' ' ' ILE . 39.6 t -87.73 45.11 1.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.38 41.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.352 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.556 ' C ' ' H ' ' A' ' 60' ' ' HIS . 22.2 mm -65.04 -22.81 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.47 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.4 tt -61.75 -1.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.312 0.577 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.556 ' H ' ' C ' ' A' ' 58' ' ' ILE . 5.3 m170 -79.49 -35.05 40.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.095 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.37 -43.29 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.948 0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -40.24 -32.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.289 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -3.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.283 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.701 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.4 t -102.75 96.78 7.08 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.701 ' HB2' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER 154.45 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.895 0.747 . . . . 0.0 109.069 179.435 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.478 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 10.0 p90 -173.85 78.34 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 4.1 pm0 -36.12 130.1 0.66 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.897 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.59 -9.55 1.65 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.7 mm -50.68 110.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.369 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.442 ' O ' ' OG ' ' A' ' 71' ' ' SER . 19.3 mmtp -81.38 -37.08 28.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 17.3 m -175.62 177.12 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.676 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.65 146.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.685 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 8.1 t-20 -173.0 160.74 4.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.675 0.75 . . . . 0.0 112.222 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.705 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.56 148.32 52.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.202 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' LEU . 18.8 m -144.84 -152.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.117 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.618 ' ND2' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -111.76 162.31 15.38 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 111.025 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.28 -72.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.698 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -48.11 -51.13 25.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.68 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -51.45 -62.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.807 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -42.54 -42.7 3.44 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.4 t80 -56.65 -65.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.726 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -37.85 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.375 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t30 -78.61 -52.98 7.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.011 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -77.01 -20.32 56.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.76 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.85 -21.62 62.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.656 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.9 pm0 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.85 0.357 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.9 tp-100 -40.52 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 5' ' ' ASN . 1.8 p90 -45.47 -44.91 12.71 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.556 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 14.6 t30 -60.77 -27.83 68.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 0.0 109.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' N ' HD23 ' A' ' 65' ' ' LEU . 1.8 t80 -54.13 -43.75 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.438 . . . . 0.0 109.864 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 15.1 ttpp -67.58 -43.07 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.397 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 18.0 p -62.75 -20.05 64.57 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.174 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -75.42 -30.08 59.93 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 14' ' ' HIS . 4.7 mt -66.82 -43.93 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLU . 14.4 ttmt -39.62 -52.03 2.24 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -42.57 65.38 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -67.15 -62.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.824 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -89.66 29.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.916 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.0 tt0 -52.0 -59.75 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.034 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -78.05 4.33 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.034 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -132.41 39.84 3.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.335 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' A' ' 22' ' ' HIS . 13.6 tt -75.42 -59.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.56 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -28.98 -62.17 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -44.38 -47.58 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 109.999 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.6 t-80 -66.26 -38.43 87.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.69 -16.54 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.668 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 tptt -100.26 -50.3 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -87.33 -81.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.162 0.506 . . . . 0.0 111.829 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 69.5 mt -47.54 -33.4 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.078 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 29' ' ' ILE . 46.5 tttp -37.93 -61.7 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.304 . . . . 0.0 111.283 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 66.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.586 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.7 tp -167.63 165.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.438 ' C ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -176.82 43.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.49 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.18 109.61 10.56 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -146.03 135.98 23.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.631 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.34 131.54 60.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.367 0.603 . . . . 0.0 112.042 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 66' ' ' TYR . 3.3 t80 -128.16 132.94 48.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.941 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 177.16 -20.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.799 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 38' ' ' VAL . 7.8 p-10 -119.4 50.29 1.26 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.1 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 36.2 t-20 54.27 -2.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.661 ' H ' ' C ' ' A' ' 36' ' ' ASN . 86.9 t -119.63 153.31 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.38 125.58 42.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.431 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.85 145.01 44.89 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.656 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 41' ' ' ILE . 95.4 mt -139.9 135.63 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CD2' ' CD2' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -61.86 135.45 57.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.158 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.8 tp -154.41 105.19 2.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 46' ' ' GLU . 9.6 pt-20 -90.2 -54.15 4.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.261 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.49 ' N ' ' CG ' ' A' ' 44' ' ' GLU . 50.2 m-80 -38.06 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 110.796 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 44' ' ' GLU . 8.7 tp10 -40.71 -41.14 1.46 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' ASN . 79.0 t80 -61.31 -67.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.21 -29.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -85.29 -33.9 22.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 109.956 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.5 t-20 -52.59 -45.89 66.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.363 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.41 -46.32 8.43 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.981 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 mt -48.94 -56.26 9.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.249 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' A' ' 49' ' ' ARG . 1.7 p-10 -69.53 -12.81 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.701 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -72.39 -28.27 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -162.17 72.06 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 58' ' ' ILE . 3.4 p -100.31 55.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -70.6 41.54 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.294 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.523 ' H ' ' C ' ' A' ' 56' ' ' SER . 86.3 mt -68.96 -7.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -77.73 0.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.42 0.629 . . . . 0.0 109.544 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -80.79 -22.72 39.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.926 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.82 -37.37 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.716 0.294 . . . . 0.0 110.511 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.17 -32.49 48.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -69.1 31.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.445 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.556 ' H ' ' C ' ' A' ' 62' ' ' ALA . 23.4 p -123.16 -37.55 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.319 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 7' ' ' PHE . 4.4 tp -90.01 -29.74 18.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 60.2 m-85 -118.98 50.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.042 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' TYR . 4.0 pt-20 -31.39 110.81 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.109 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 122.31 3.24 9.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -46.5 125.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.081 0.467 . . . . 0.0 110.994 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.457 ' O ' ' OG ' ' A' ' 71' ' ' SER . 2.3 tmtt? -86.61 -34.46 19.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.652 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 3.3 m 174.04 -171.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.322 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -147.2 144.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.941 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 19.6 t-20 -159.83 156.74 27.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.451 0.643 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.663 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.93 148.27 48.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.497 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.1 m -145.96 -152.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.577 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 26.6 t-20 -112.47 172.27 7.02 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.778 0.799 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.577 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 75.3 mm-40 -38.3 -73.14 0.05 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.81 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -50.6 -51.8 45.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.115 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -51.43 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.156 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CE2' ' CD2' ' A' ' 84' ' ' LEU . 33.0 t80 -43.06 -44.29 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -56.86 -66.83 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.89 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' PHE . 74.5 t80 -31.8 -35.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . 26.0 t-20 -80.01 -54.01 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.025 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -71.94 -16.33 62.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.03 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.88 -4.06 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.47 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.7 tttm . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.986 0.422 . . . . 0.0 110.425 -179.712 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' ALA . 56.7 mm-40 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.685 0.278 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.548 ' NE2' ' HH ' ' A' ' 66' ' ' TYR . 12.7 tm0? -44.37 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.477 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 1.5 t80 -43.22 -51.0 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -59.34 -25.3 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -83.6 -62.14 1.66 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.06 -48.38 80.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.05 -19.83 21.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.598 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -37.82 78.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.6 mt -61.95 -46.99 86.89 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 16' ' ' GLU . 5.8 mmtp -38.15 -56.44 1.18 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -48.85 -42.33 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 109.75 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.3 t60 -69.91 -64.37 0.9 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.299 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -84.94 26.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.718 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.5 tm-20 -52.14 -49.05 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -94.73 -14.59 24.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -105.95 34.08 3.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' A' ' 22' ' ' HIS . 14.8 tt -74.98 -55.14 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.486 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -31.22 -43.58 0.1 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 41.8 t80 -58.77 -50.78 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 44.1 t-80 -59.84 -56.25 24.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.465 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.41 -14.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.065 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -68.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.507 ' CD1' ' CE2' ' A' ' 21' ' ' PHE . 61.7 m-85 -68.1 -70.44 0.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 111.359 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' ASP . 25.6 mt -64.29 -61.62 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.699 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 22' ' ' HIS . 41.9 tttm 60.18 -72.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.23 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ILE . 24.8 t0 -155.41 129.03 8.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.501 HG21 ' H ' ' A' ' 31' ' ' ARG . 33.6 mm -108.61 167.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.218 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -139.75 3.79 2.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.501 ' H ' HG21 ' A' ' 29' ' ' ILE . 1.2 mmt180 -134.37 92.32 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -144.6 125.81 14.68 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.48 144.03 33.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.214 0.53 . . . . 0.0 111.964 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 2.9 t80 -121.67 56.59 1.06 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.592 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 41.1 mttm -121.98 111.08 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 9.9 t30 139.66 -56.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' ' O ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER 160.33 -13.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.424 179.005 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.52 HG13 ' H ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -119.05 179.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.283 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.52 ' H ' HG13 ' A' ' 38' ' ' VAL . 4.6 mp -125.08 123.1 39.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.991 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -117.92 143.18 46.57 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mt -147.09 142.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.939 0.399 . . . . 0.0 111.153 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.07 140.92 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -163.93 77.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.83 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.55 -44.69 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.823 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -38.76 101.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 13.2 pt-20 -59.39 -28.63 67.08 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.014 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.6 m-85 -74.19 -73.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.53 -34.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.479 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.08 -36.46 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 47' ' ' PHE . 40.9 t30 -54.59 -58.55 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.429 0.633 . . . . 0.0 110.422 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.72 -47.65 62.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.317 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.0 mt -48.74 -52.34 24.22 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.698 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -76.06 -11.72 59.99 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.968 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.63 -25.92 59.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -166.64 60.18 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 57' ' ' GLU . 1.8 t -77.17 -97.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.905 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.6 mt-10 77.17 22.4 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.977 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.6 mm -47.12 -1.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.222 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.714 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.6 tt -86.13 -25.31 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.905 ' ND1' ' O ' ' A' ' 57' ' ' GLU . 40.0 p-80 -56.97 -11.42 1.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.548 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.593 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -124.19 -49.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 11.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.593 ' H ' ' C ' ' A' ' 61' ' ' LEU . 9.6 pt-20 -90.25 27.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.777 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.5 t -120.54 -64.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -43.96 -29.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' HH ' ' NE2' ' A' ' 3' ' ' GLN . 6.0 m-85 -118.45 154.28 32.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.358 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -47.16 -14.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . 143.49 90.08 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 mm -44.96 154.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.363 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -88.47 -40.07 13.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.119 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -179.54 -178.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.566 ' N ' ' OG ' ' A' ' 71' ' ' SER . 22.5 t -148.46 146.49 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.72 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 12.4 t-20 -164.94 155.02 13.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.365 0.602 . . . . 0.0 111.879 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -127.3 150.89 49.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.286 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 m -150.14 -153.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.59 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.8 t-20 -121.86 173.39 7.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.817 0.818 . . . . 0.0 111.527 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.59 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 25.6 mt-10 -37.16 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.338 -178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -48.26 -50.29 30.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.259 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 82' ' ' PHE . 9.4 t0 -50.27 -65.98 0.47 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.551 . . . . 0.0 109.955 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 1.8 t80 -48.32 -36.19 13.82 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -24.22 66.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.695 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ASP . 86.6 t80 -80.04 -28.09 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.137 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.19 24.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.34 -71.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -67.64 -34.57 77.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.687 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 85' ' ' ALA . 43.0 tptt . . . . . 0 N--CA 1.464 0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.4 pt-20 . . . . . 0 C--O 1.227 -0.125 0 CA-C-O 120.881 0.372 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.5 tt0 -44.83 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.277 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -43.64 -46.63 7.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.55 -32.0 68.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.21 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -70.01 -54.75 11.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.475 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -43.4 80.33 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.225 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -60.38 -55.7 30.38 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 t -55.55 -27.21 47.66 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.429 -0.908 . . . . 0.0 108.596 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.3 85.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.253 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.7 mt -62.33 -44.97 95.26 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.831 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ttpp -36.42 -59.89 0.62 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -48.59 -40.43 27.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.104 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.9 t-80 -68.63 -62.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.501 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.04 25.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.065 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -50.07 -26.11 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.128 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -95.91 -39.7 9.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.11 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.89 35.83 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.666 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 10.1 tt -52.0 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.945 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.666 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -30.24 -57.82 0.23 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' GLY . 81.3 t80 -40.88 -49.76 3.21 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.54 ' C ' ' H ' ' A' ' 24' ' ' LYS . 41.5 t-80 -61.9 -57.0 13.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.945 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -57.04 -5.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.067 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -93.9 -74.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.684 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.3 m-85 -101.94 -62.33 1.27 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.298 -178.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 mm -42.02 -15.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.52 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -82.35 -75.9 0.28 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.668 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -38.65 -66.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 30' ' ' ASN . 96.7 mt -43.64 163.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.483 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 64.6 t30 -172.66 47.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.627 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -131.97 112.89 12.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.488 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -151.4 147.77 27.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.791 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -149.84 143.19 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 4.3 p90 -136.15 62.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.742 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 11.6 tptp -121.32 71.71 0.97 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.935 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 3.0 m120 179.47 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.474 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.599 HD22 ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 154.4 -17.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.902 179.706 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.603 ' CG1' ' H ' ' A' ' 39' ' ' LEU . 46.1 t -119.85 176.17 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.603 ' H ' ' CG1' ' A' ' 38' ' ' VAL . 5.2 mp -125.92 123.88 39.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.366 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.68 145.96 45.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.793 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.428 HD11 HG21 ' A' ' 41' ' ' ILE . 96.8 mt -139.24 134.84 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.283 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.0 mm? -67.11 132.38 47.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -160.5 98.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.164 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -89.98 -29.53 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -44.29 114.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.15 -33.81 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.028 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 50' ' ' ASN . 7.6 m-85 -75.55 -75.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 110.344 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' PHE . . . -37.24 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.2 ttp85 -85.89 -33.77 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.4 t-20 -55.25 -41.79 72.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.22 0.533 . . . . 0.0 110.884 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.05 -48.92 6.89 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.431 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.404 ' O ' ' OG ' ' A' ' 56' ' ' SER . 19.2 mt -45.92 -56.4 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.2 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -71.96 -9.8 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.216 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -74.97 -31.36 61.44 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -166.82 95.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.564 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 7.6 m -148.99 78.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.374 . . . . 0.0 111.198 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 59' ' ' ILE . 1.6 pm0 -79.41 50.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.022 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 mm -53.69 -2.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.024 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.557 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.4 tt -89.95 1.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.413 0.625 . . . . 0.0 109.655 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -82.78 -23.34 33.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.155 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.612 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -124.65 -38.04 2.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.228 0.537 . . . . 0.0 109.781 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.83 4.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.333 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.612 ' H ' ' C ' ' A' ' 61' ' ' LEU . 2.0 mm-40 -79.53 -94.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.363 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 63' ' ' GLU . 22.1 t -3.08 -66.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.402 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 63' ' ' GLU . 35.3 tp -40.74 -33.33 0.28 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.572 0.225 . . . . 0.0 110.871 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.492 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 4.8 m-85 -117.73 -174.33 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.087 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.86 -27.19 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.15 83.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.6 mm -44.54 148.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.674 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -85.61 -38.26 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.297 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.42 -179.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.0 t -147.69 146.09 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.747 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -167.84 162.6 13.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.332 0.587 . . . . 0.0 111.809 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.53 148.37 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.699 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -168.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.822 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -87.17 160.61 18.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.225 0.536 . . . . 0.0 111.428 -179.403 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' CA ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -38.61 -70.33 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.678 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 78' ' ' GLN . 18.8 mp0 -45.94 -54.62 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.681 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.94 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.85 -46.04 3.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 85' ' ' ALA . 3.5 t80 -54.67 -64.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.918 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' PHE . 50.1 t80 -32.99 -36.04 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 6.9 t30 -74.61 -50.76 16.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.939 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 81' ' ' PHE . 44.1 tp -75.5 -19.03 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.36 -40.59 15.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 tttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 -179.762 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 6' ' ' ALA . 46.1 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.81 0.338 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 6' ' ' ALA . 62.5 tt0 -39.52 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -44.91 -45.71 10.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -67.95 -21.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.282 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -85.36 -65.62 0.99 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.732 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.26 -39.64 60.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -74.01 -42.61 60.08 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.721 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -61.22 -23.81 65.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.462 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -66.93 -46.49 74.63 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 12' ' ' LYS . 51.1 mt -49.44 -57.54 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 11' ' ' LEU . 31.6 mtpt -31.13 -49.15 0.13 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.946 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 10.5 mmmt -49.65 -48.15 49.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.086 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.485 ' C ' ' H ' ' A' ' 16' ' ' GLU . 13.5 t-80 -91.72 -41.77 10.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.514 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.31 20.62 0.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 14' ' ' HIS . 67.7 tt0 -80.45 -46.3 16.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.927 0.394 . . . . 0.0 110.282 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -76.91 -14.06 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.272 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.533 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -96.9 17.42 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.01 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.6 tt -62.03 1.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 18' ' ' THR . . . -92.04 -66.86 1.12 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.432 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 56.6 t80 -48.65 -32.22 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' LYS . 16.6 t-80 -66.2 -70.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.398 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.455 ' N ' ' HD1' ' A' ' 22' ' ' HIS . 1.6 t70 -40.69 -29.97 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.631 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -84.69 -75.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.77 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CD1' ' CE2' ' A' ' 21' ' ' PHE . 52.6 m-85 -75.68 -72.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.254 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' ASP . 11.7 mm -53.42 -55.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.625 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 22' ' ' HIS . 58.9 tttm 46.83 -91.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.348 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -89.79 -91.11 0.14 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.082 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.629 ' O ' ' O ' ' A' ' 28' ' ' ASP . 38.7 mm 43.61 116.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.001 0.429 . . . . 0.0 111.099 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -140.53 36.8 1.84 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.37 113.97 20.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.185 0.517 . . . . 0.0 110.206 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 16.5 p90 -161.35 153.2 19.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.04 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.1 m -153.21 152.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.116 0.484 . . . . 0.0 111.481 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 10.9 t80 -131.21 51.2 2.16 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.742 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -119.65 55.21 0.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -173.05 38.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 53.85 11.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.378 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ASN . 43.9 t -149.79 164.51 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.233 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 5.1 mp -117.64 120.0 36.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.084 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' CG2' ' A' ' 75' ' ' VAL . 2.2 mt -119.69 140.13 51.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.033 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.1 mt -133.75 132.07 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.7 mm? -57.8 126.22 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.741 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -161.91 87.94 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 5.8 mp0 -78.44 -26.05 46.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -48.1 122.45 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.4 tp10 -71.08 -52.61 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.502 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.15 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.986 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.9 -60.93 2.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -49.98 -43.62 50.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -47.84 -56.85 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.668 0.746 . . . . 0.0 110.786 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -39.71 68.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.677 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.73 -48.0 82.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.158 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -74.58 -19.42 60.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.92 -25.68 65.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.624 0.726 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -169.47 107.97 0.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.72 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -154.45 82.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.651 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 50.3 mm-40 -91.08 50.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 60' ' ' HIS . 3.8 mm -62.18 -15.11 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.296 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.478 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.1 tt -73.68 3.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.384 0.612 . . . . 0.0 109.356 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.444 ' H ' ' C ' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -79.42 -45.39 19.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.48 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.643 ' H ' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -97.16 -36.57 10.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.774 -179.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.67 -35.91 75.39 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.781 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' A' ' 59' ' ' ILE . 11.9 pt-20 -66.31 34.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.536 ' H ' ' C ' ' A' ' 62' ' ' ALA . 22.8 t -122.28 -27.72 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.75 -32.53 17.87 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.613 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . 0.539 ' C ' ' H ' ' A' ' 68' ' ' GLY . 37.4 p90 -166.96 107.17 0.62 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 69' ' ' ILE . 84.2 mt-10 -46.83 -11.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.085 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -52.19 -4.3 0.12 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.583 ' H ' ' C ' ' A' ' 67' ' ' GLU . 4.8 mm -76.07 103.0 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 111.138 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -83.41 -32.6 26.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.052 0.453 . . . . 0.0 109.806 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.9 t 177.34 -173.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.922 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.538 ' N ' ' OG ' ' A' ' 71' ' ' SER . 15.4 t -147.43 146.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.367 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -166.65 156.37 11.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.585 0.707 . . . . 0.0 111.802 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -123.44 141.61 51.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.381 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.433 ' CG2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -154.32 -174.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.43 . . . . 0.0 110.771 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.89 157.16 27.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.04 -31.18 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.659 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.3 -52.88 16.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.061 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -62.73 -49.41 75.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.549 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -52.47 -36.96 55.99 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' A' ' 85' ' ' ALA . 27.3 t80 -62.84 -49.12 76.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.26 -28.43 53.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.471 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -78.19 -47.62 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.742 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 2.2 tp -83.56 -5.09 59.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -106.14 13.8 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.932 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.167 0 CA-C-O 120.832 0.348 . . . . 0.0 110.506 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 pt-20 . . . . . 0 C--O 1.227 -0.121 0 CA-C-O 120.817 0.341 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 6' ' ' ALA . 15.0 tt0 -36.93 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.211 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -51.66 -36.57 46.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.396 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -59.84 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -68.71 -55.81 10.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.151 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -59.85 -36.83 77.67 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -55.32 -57.45 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.986 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -49.5 -40.51 37.84 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.39 -33.25 53.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.351 -0.539 . . . . 0.0 109.75 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.95 -28.64 58.0 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.598 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -54.8 -63.7 1.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.189 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -53.24 -39.26 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.423 ' C ' ' H ' ' A' ' 16' ' ' GLU . 17.7 t60 -65.32 -68.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.185 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.508 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.8 m-85 -73.33 19.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.493 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 14' ' ' HIS . 31.4 tt0 -64.01 2.12 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.516 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' A' ' 15' ' ' TYR . 22.8 mtmm -130.23 11.53 5.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.642 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.04 44.36 2.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.68 ' H ' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -58.23 -75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.172 -179.546 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -23.0 -64.9 0.03 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -40.75 -46.54 2.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.858 0.361 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 19' ' ' ILE . 36.9 t-80 -58.2 -60.19 4.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.219 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.94 -5.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 22' ' ' HIS . 4.3 tptp -84.7 -71.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.671 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.485 ' CD2' ' CG ' ' A' ' 45' ' ' ASN . 24.5 m-85 -107.52 -67.81 0.93 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . 73.8 mt -41.21 -43.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 35.83 -94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.63 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ILE . 22.2 p-10 -147.53 120.69 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.516 HG23 ' H ' ' A' ' 30' ' ' ASN . 3.4 mt -130.84 168.45 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.913 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.516 ' H ' HG23 ' A' ' 29' ' ' ILE . 14.6 m120 -153.63 39.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.617 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -135.68 109.87 8.34 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -147.17 167.72 23.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.152 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.6 m -141.37 116.02 5.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 111.377 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -127.24 131.48 50.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.387 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 33.8 mtmm -129.9 -52.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.291 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER 163.37 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -80.26 -49.87 11.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.415 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 56.4 t -152.35 166.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.572 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.487 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 2.1 mp -125.02 126.28 45.17 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.295 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.39 147.24 43.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.6 mt -140.86 139.46 34.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.157 0.503 . . . . 0.0 111.864 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 4.1 mm? -58.95 129.18 40.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' VAL . 18.3 tp -160.15 114.2 2.21 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.77 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -88.6 -69.92 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 25' ' ' TYR . 11.4 m-80 -30.89 89.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 21.7 tt0 -38.01 -38.82 0.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' ASN . 41.1 m-85 -63.46 -66.83 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -36.41 -31.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.543 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 2.2 mtm180 -82.65 -31.94 28.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.485 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -70.77 -22.07 62.43 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.256 -179.484 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.547 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -90.74 -60.01 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.155 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 56' ' ' SER . 56.6 mt -50.28 -35.64 28.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.839 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -95.53 -15.33 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 23.6 t0 -91.52 -26.73 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -157.24 95.97 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 52' ' ' LEU . 5.7 t -161.88 -60.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.537 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mt-10 69.89 52.18 0.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.636 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.4 -0.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.177 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.537 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.0 tt -88.04 -7.36 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.475 ' HD1' ' CB ' ' A' ' 57' ' ' GLU . 1.5 m80 -76.56 -23.73 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.813 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.556 ' H ' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.16 -41.09 4.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.55 -20.16 30.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.929 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -5.09 30.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 -178.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.4 m -99.43 -34.95 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.282 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -89.49 -34.03 16.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.092 0.472 . . . . 0.0 109.807 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -119.2 109.5 15.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -83.83 121.55 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 15.71 18.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.59 122.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -85.88 -34.02 21.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.938 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.604 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.5 t 174.1 -170.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.216 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.604 ' N ' ' OG ' ' A' ' 71' ' ' SER . 25.6 t -143.45 140.56 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.96 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -141.43 157.87 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.57 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.694 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -147.94 139.45 23.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.922 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' LEU . 21.7 m -149.6 -169.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.564 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.641 HD22 ' H ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -78.68 160.22 27.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.837 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -52.04 -30.59 26.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.108 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.52 -56.7 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.491 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . 0.641 ' H ' HD22 ' A' ' 76' ' ' ASN . 52.7 t0 -55.15 -50.36 69.49 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.947 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.5 t80 -52.66 -43.14 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.949 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.49 -13.29 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -74.05 -39.19 63.67 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.94 -33.25 71.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.974 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.71 -17.49 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.752 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.19 -30.29 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.667 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.787 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' ALA . 24.4 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.814 0.34 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' ALA . 40.7 tt0 -45.89 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -41.98 -52.09 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.235 0.541 . . . . 0.0 109.724 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.422 ' O ' ' OG ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -57.67 -28.82 64.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.539 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -80.34 -58.01 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.106 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.8 -47.77 84.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.85 -48.45 78.98 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.11 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 57.2 m -54.5 -29.84 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.911 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.432 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' HIS . 2.7 mt -61.7 -46.59 89.03 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLU . 32.8 ttpt -40.26 -57.18 1.79 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.73 -42.77 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 0.0 109.788 178.371 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.04 -58.83 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.275 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -95.38 34.02 1.5 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.4 tt0 -63.92 -57.64 9.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.632 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -83.31 9.54 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -96.77 52.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -59.91 -83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -19.02 -45.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.397 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.2 t80 -68.66 -42.0 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.366 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.758 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.7 t-80 -70.07 -16.57 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.55 -11.71 31.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.977 0.418 . . . . 0.0 110.122 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -86.59 -69.85 0.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.245 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.608 ' O ' ' N ' ' A' ' 27' ' ' LYS . 13.3 m-85 -119.81 -63.46 1.37 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mp -40.41 -15.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -178.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 25' ' ' TYR . 59.5 tttp -11.31 -61.17 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.786 0.327 . . . . 0.0 111.758 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ILE . 16.8 t70 -168.85 96.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.447 HG23 ' H ' ' A' ' 30' ' ' ASN . 1.1 mt -77.89 171.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.447 ' H ' HG23 ' A' ' 29' ' ' ILE . 34.9 m120 -145.49 6.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.212 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -131.46 98.83 4.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 111.231 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -151.67 129.27 11.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -142.59 155.16 18.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.675 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.684 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.13 122.78 40.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.998 179.004 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -119.07 -70.23 0.8 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.44 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASN . . . . . 0.459 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.3 t-20 -119.72 82.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.752 0.31 . . . . 0.0 110.936 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.6 m120 49.4 13.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 36' ' ' ASN . 78.5 t -119.65 143.13 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -121.19 120.75 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.314 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.35 143.54 46.55 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.3 mt -140.81 135.44 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.056 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.9 mm? -60.87 137.61 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.8 tp -163.34 97.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 179.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.46 -33.73 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.597 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -43.2 124.07 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.55 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' ASN . 47.3 m-85 -66.28 -67.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.498 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.0 -39.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -76.65 -36.86 57.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' PHE . 48.9 t-20 -50.1 -48.25 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.393 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -41.91 11.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.887 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.7 mt -51.2 -60.81 2.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.701 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -66.46 -13.77 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.788 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -71.12 -27.92 63.93 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -167.0 98.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 58' ' ' ILE . 24.8 p -132.73 67.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.433 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.563 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 14.4 mt-10 -71.26 41.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.772 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.476 ' H ' ' C ' ' A' ' 56' ' ' SER . 78.2 mt -64.18 -5.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.063 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 63' ' ' GLU . 4.6 tt -90.75 -8.66 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.337 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 57' ' ' GLU . 1.8 p-80 -85.61 -2.67 58.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.75 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' CD2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -132.28 -45.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.627 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.87 -23.12 63.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.001 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' ILE . 9.1 pt-20 -63.58 33.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.63 -178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 62' ' ' ALA . 89.3 p -126.17 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.642 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.27 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -119.36 165.19 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.68 -22.66 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.39 91.6 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.86 144.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.425 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -81.07 -40.19 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.41 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -175.61 178.16 1.63 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -148.87 148.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.537 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -172.29 160.64 5.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.61 0.719 . . . . 0.0 112.187 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -128.22 146.86 50.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.026 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LEU . 17.0 m -146.34 -157.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.275 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -105.51 161.79 14.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.009 -179.549 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 14.0 mm-40 -35.52 -70.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.625 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -49.58 -49.97 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 111.059 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -63.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.57 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 5.9 t80 -45.45 -44.46 12.28 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.172 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.516 ' O ' ' N ' ' A' ' 83' ' ' ASN . 53.2 t80 -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.953 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' PHE . 20.2 t80 -36.08 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.867 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.5 t-20 -75.67 -51.62 12.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.798 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 86' ' ' LYS . 2.0 pp -83.75 -18.76 36.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.39 -3.18 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LYS . . . . . 0.424 ' H ' ' C ' ' A' ' 84' ' ' LEU . 2.7 tppp? . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.52 -18.91 62.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.524 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 tt0 -44.37 -72.6 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -48.68 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.672 ' ND2' ' HG ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -59.52 -30.01 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.584 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.7 -58.55 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -63.41 -47.22 82.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.714 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.62 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 26.3 ttpt -62.71 -51.69 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.54 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.672 ' HG ' ' ND2' ' A' ' 5' ' ' ASN . 62.8 m -56.79 -27.38 59.67 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.286 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.92 -43.79 94.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.1 mt -57.29 -47.28 81.88 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 32.2 ttpt -35.99 -62.15 0.45 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.879 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -40.53 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.131 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.3 t-80 -69.13 -57.64 5.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.532 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.3 m-85 -92.72 31.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.687 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LYS . 15.8 pt-20 -72.4 21.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.76 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.532 ' H ' ' C ' ' A' ' 15' ' ' TYR . 42.0 mtmt -150.23 -25.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.407 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.09 35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.317 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.713 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 10.0 tt -44.63 -74.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.115 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.713 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -26.69 -49.35 0.05 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.871 -0.491 . . . . 0.0 111.871 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -53.71 -52.46 60.01 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.585 ' N ' ' O ' ' A' ' 19' ' ' ILE . 54.9 t-80 -55.78 -58.69 6.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.208 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.95 -7.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' HIS . 21.2 tttp -88.34 -77.1 0.37 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.705 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 29.9 m-85 -111.49 -70.05 0.83 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.589 ' O ' ' C ' ' A' ' 27' ' ' LYS . 6.7 mm -36.48 -25.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.043 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.0 ttmt 7.43 -102.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.699 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -140.73 81.23 1.79 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.764 0.316 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.423 HG21 ' H ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -76.58 -162.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.89 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.423 ' H ' HG21 ' A' ' 29' ' ' ILE . 59.0 t30 -171.2 22.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -129.95 96.92 4.33 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.298 0.571 . . . . 0.0 110.675 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -155.4 141.0 17.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.89 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.23 153.77 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.509 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' A' ' 35' ' ' LYS . 3.8 t80 -129.08 131.24 47.26 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.509 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 1.4 mtpp 173.6 45.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.695 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 179.11 41.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.268 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 58.56 -6.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.695 ' H ' ' C ' ' A' ' 36' ' ' ASN . 85.5 t -119.71 161.03 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 8.0 mp -130.04 132.21 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' CD1' ' CG ' ' A' ' 83' ' ' ASN . 0.4 OUTLIER -118.75 142.97 47.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.98 138.53 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.48 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.08 136.55 56.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.063 -179.286 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.9 tp -173.45 94.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.127 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.75 -40.49 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 23.3 m120 -41.05 116.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -60.81 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 50' ' ' ASN . 39.0 m-85 -62.46 -67.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.518 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 47' ' ' PHE . . . -37.77 -39.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -75.87 -34.91 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 47' ' ' PHE . 46.8 t30 -56.5 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.707 0.765 . . . . 0.0 110.146 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -50.32 73.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.835 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 31.7 mt -50.38 -51.26 47.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 -178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 3.9 p30 -77.37 -15.64 59.28 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.682 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 73.0 m-20 -74.06 -25.79 60.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.27 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 179.0 92.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.369 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -129.67 -71.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.515 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.587 ' C ' ' H ' ' A' ' 59' ' ' ILE . 3.1 mt-10 72.28 50.07 0.21 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 38.8 mm -57.58 0.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.862 0.363 . . . . 0.0 110.453 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.587 ' H ' ' C ' ' A' ' 57' ' ' GLU . 2.8 tt -86.42 -28.28 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' OE1' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -51.53 -17.4 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.51 178.782 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.96 -42.39 2.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.467 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.21 1.55 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.434 ' H ' ' C ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -90.15 18.8 5.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.576 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -114.96 -31.44 6.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 39.7 tp -79.28 -26.33 42.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 15.6 m-85 -119.07 168.46 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.458 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.0 mp0 -49.43 -49.41 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.53 89.15 0.07 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.6 mm -48.52 150.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.736 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -92.97 -35.23 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p 177.82 -176.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.447 . . . . 0.0 110.844 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -150.78 150.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.837 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.657 ' ND2' ' H ' ' A' ' 74' ' ' PHE . 1.6 t-20 -157.5 151.18 24.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.257 0.551 . . . . 0.0 111.714 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' H ' ' ND2' ' A' ' 73' ' ' ASN . 0.0 OUTLIER -126.77 147.67 49.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.471 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.484 ' O ' ' N ' ' A' ' 43' ' ' LEU . 9.6 m -146.64 -161.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -97.42 159.6 14.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.0 tt0 -48.29 -36.64 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.312 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.39 -53.23 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.327 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.37 -50.84 72.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.48 . . . . 0.0 110.253 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.421 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 7.2 t80 -50.69 -41.26 55.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.03 -35.59 77.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.071 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.66 -27.67 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CG ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -67.95 -43.43 79.08 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.565 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -84.33 -16.7 42.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.861 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.38 -23.59 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -43.64 -46.32 7.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.486 ' H ' ' CD1' ' A' ' 87' ' ' LEU . 9.5 mp -45.41 129.77 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' CG ' ' H ' ' A' ' 89' ' ' GLU . 14.2 tt0 -75.34 -133.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.437 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -80.42 -31.1 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.424 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -78.29 169.37 18.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.4 m -168.1 -120.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.405 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -74.74 64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.363 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.89 -9.5 58.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -69.55 136.19 51.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.58 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -130.86 102.09 5.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -118.53 -173.2 2.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.525 ' C ' ' H ' ' A' ' 99' ' ' SER . 42.6 tt0 -154.79 140.32 17.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.543 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 5.8 t30 -71.54 40.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.525 ' H ' ' C ' ' A' ' 97' ' ' GLN . 55.8 p -171.16 56.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.737 0 CA-C-O 117.914 -1.492 . . . . 0.0 110.925 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mtt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -87.22 -41.74 13.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -36.97 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.587 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 74.8 t80 -63.98 -47.5 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.52 -37.01 74.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.712 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -39.91 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -34.49 78.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -64.07 -49.02 73.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.326 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t -59.81 -24.9 64.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -65.54 -39.47 91.79 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.5 mt -59.17 -42.04 89.84 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLU . 18.5 ttpp -37.2 -56.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.92 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.38 -41.49 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -67.3 -63.21 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.73 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.35 26.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.3 tm-20 -50.35 -55.75 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.174 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -78.95 2.1 21.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.281 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 42.7 m -123.26 55.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.505 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.608 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -80.1 -62.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.325 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.608 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -29.07 -62.27 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -43.15 -50.49 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' O ' ' A' ' 27' ' ' LYS . 58.4 t-80 -60.77 -49.03 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.243 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.81 -2.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.751 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 17.0 tptt -96.11 -74.59 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.577 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 27' ' ' LYS . 32.9 m-85 -101.76 -75.8 0.59 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.876 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 27' ' ' LYS . 87.0 mt -38.03 -24.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.974 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 26' ' ' ILE . 71.4 mttt 9.39 -109.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.326 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 29' ' ' ILE . 24.3 t0 -151.44 66.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.079 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.443 ' O ' ' O ' ' A' ' 28' ' ' ASP . 2.7 mt -59.39 -138.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.437 ' H ' ' CG2' ' A' ' 29' ' ' ILE . 4.5 p30 -174.99 33.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.39 93.78 2.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.399 0.618 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 4' ' ' PHE . 32.3 p90 -148.83 134.84 19.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.017 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.6 m -127.41 128.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 111.472 -179.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 9.1 p90 -129.9 53.19 1.94 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.109 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 16.8 ttmt -119.04 45.11 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.457 ' C ' ' H ' ' A' ' 38' ' ' VAL . 57.3 m-80 -159.73 24.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' GLY . 4.2 t-20 75.74 -12.45 0.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.316 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.457 ' H ' ' C ' ' A' ' 36' ' ' ASN . 2.6 t -119.64 168.82 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.016 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mp -129.54 124.18 33.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.916 0.389 . . . . 0.0 111.135 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 148.13 43.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -142.47 138.21 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.8 mm? -63.15 133.26 54.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.23 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.7 tp -153.5 109.54 3.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.355 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 98.3 mt-10 -90.52 -57.61 2.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.518 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 14.3 m-80 -37.08 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.004 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.6 tt0 -40.84 -26.98 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 50' ' ' ASN . 23.0 t80 -70.5 -71.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 0.0 110.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.89 -30.83 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.387 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -81.72 -31.82 31.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.144 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t30 -56.25 -44.9 80.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.2 -50.05 6.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.607 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -47.72 -53.64 14.54 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.256 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -72.05 -10.76 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.799 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -73.93 -30.48 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -158.93 80.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.981 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 58' ' ' ILE . 7.6 t -107.69 58.17 0.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 9.9 mp0 -72.99 31.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.56 ' H ' ' C ' ' A' ' 56' ' ' SER . 86.0 mt -56.65 -19.56 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -67.13 -0.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.482 0.658 . . . . 0.0 109.333 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.511 ' H ' ' C ' ' A' ' 58' ' ' ILE . 18.9 m170 -76.06 -25.05 55.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.248 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.515 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.61 -40.11 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -48.83 -30.61 5.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.1 33.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.38 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.534 ' H ' ' C ' ' A' ' 62' ' ' ALA . 11.4 m -130.17 -45.93 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.493 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.417 ' HB3' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -60.27 -23.84 64.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 27.0 p90 177.97 111.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.926 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.69 164.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.698 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 110.6 -0.36 29.16 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.8 mm -65.91 127.65 27.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.394 . . . . 0.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -99.92 -30.76 11.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.0 t 173.65 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.208 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.606 ' N ' ' OG ' ' A' ' 71' ' ' SER . 20.0 t -147.32 145.66 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -163.61 157.78 19.82 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.723 0.773 . . . . 0.0 112.058 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.736 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.42 143.83 35.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.807 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.456 ' O ' ' N ' ' A' ' 43' ' ' LEU . 31.1 m -148.12 -161.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.104 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.73 161.89 13.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.979 0.419 . . . . 0.0 111.018 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -36.88 -70.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.573 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -48.94 -52.99 21.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.628 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.19 -65.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 4.4 t80 -42.19 -47.97 4.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.5 t80 -56.42 -66.56 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.214 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' C ' ' O ' ' A' ' 81' ' ' PHE . 49.0 t80 -29.28 -40.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.4 m-80 -74.03 -49.64 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.076 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 81' ' ' PHE . 41.5 tp -74.78 -18.38 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -74.58 -19.18 60.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -63.69 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.9 mt -40.43 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.734 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -88.96 -173.01 3.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 62.66 88.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.689 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.551 ' CG ' ' H ' ' A' ' 91' ' ' SER . 8.3 t-20 59.81 -169.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.551 ' H ' ' CG ' ' A' ' 90' ' ' ASN . 15.1 p -156.92 61.87 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.6 mtm-85 48.81 57.02 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.673 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -159.46 107.94 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.401 ' O ' ' CG2' ' A' ' 94' ' ' THR . 6.4 t -85.89 91.52 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.561 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 9.7 mp -55.97 -67.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -158.78 111.6 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.469 ' O ' ' O ' ' A' ' 98' ' ' ASN . 15.3 tm0? -163.71 -7.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' A' ' 97' ' ' GLN . 52.7 t30 -53.14 -110.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.733 ' HG ' ' H ' ' A' ' 100' ' ' GLY . 9.9 t -170.67 -139.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.604 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.733 ' H ' ' HG ' ' A' ' 99' ' ' SER . . . . . . . . 0 C--O 1.219 -0.797 0 CA-C-O 118.014 -1.437 . . . . 0.0 110.931 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ptm . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 6' ' ' ALA . 84.5 mt-10 -83.47 -23.33 32.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.58 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.8 tp60 -41.67 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -44.0 -48.07 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 51.0 t30 -63.51 -23.15 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -82.57 -63.72 1.32 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -55.44 -41.79 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.5 ' NZ ' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.6 -44.27 82.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.981 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 10.8 p -60.23 -21.37 61.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.505 -179.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.98 -40.7 83.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.7 mt -57.74 -46.24 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLU . 61.7 tttm -37.31 -54.89 1.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 4.4 mmtm -51.77 -43.54 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.109 0.48 . . . . 0.0 109.9 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.6 t60 -68.79 -61.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -85.87 29.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.67 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.581 ' OE2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -55.34 -23.35 23.38 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.96 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 39.1 mtmt -98.86 -42.97 6.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 110.367 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -83.04 46.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.796 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.626 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 2.2 tt -60.62 -63.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.326 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.626 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -28.34 -61.55 0.12 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -45.15 -47.6 12.27 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.589 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.3 t-80 -66.36 -22.13 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.535 ' N ' ' O ' ' A' ' 20' ' ' GLY . 12.0 t70 -83.41 -7.04 59.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -91.81 -68.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.579 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.6 m-85 -110.35 -66.28 1.08 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.761 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.3 mm -42.03 -17.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.714 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' TYR . 84.5 tttt -15.66 -97.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.661 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 32.3 p-10 -148.35 52.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.492 HG21 ' H ' ' A' ' 30' ' ' ASN . 1.6 mt -41.38 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.492 ' H ' HG21 ' A' ' 29' ' ' ILE . 11.7 m-80 -125.4 22.07 7.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.441 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.402 HH11 ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -136.1 88.14 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.378 0.609 . . . . 0.0 110.742 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -148.79 127.57 12.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.071 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -119.64 127.16 75.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.28 0.562 . . . . 0.0 111.977 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -123.67 130.02 52.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.122 179.259 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 40.0 mtmt -120.96 -57.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.365 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.0 t30 160.7 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.44 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -87.81 -45.67 10.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.735 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.474 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 48.3 t -154.66 166.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.16 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.474 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 2.7 mp -125.16 123.73 40.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.529 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.23 143.81 46.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.134 -179.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.2 mp -140.03 135.09 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.657 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.1 mm? -64.28 132.6 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.251 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.0 tp -162.18 93.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.321 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -86.44 -23.49 26.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.258 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 52.1 m-80 -48.21 115.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.69 -33.25 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 50' ' ' ASN . 95.0 m-85 -73.98 -72.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.758 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.63 -33.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -79.39 -36.03 39.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.562 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.5 t-20 -54.58 -44.7 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.309 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -46.48 9.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.435 -178.323 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.489 ' O ' ' OG ' ' A' ' 56' ' ' SER . 25.9 mt -47.69 -54.19 12.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.307 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -73.45 -10.19 59.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.245 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.66 -30.79 56.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.305 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -165.54 60.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -83.63 -93.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.495 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mm-40 70.49 46.02 0.58 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.5 mm -64.4 3.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.845 -179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.495 ' H ' ' C ' ' A' ' 57' ' ' GLU . 9.0 tt -86.25 -34.79 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -46.33 -12.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.701 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -131.22 -48.62 1.0 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.18 -20.13 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.547 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.13 2.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.349 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' TYR . 69.8 m -96.31 -69.53 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.16 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 36.2 tp -38.54 -23.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.923 -179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.9 m-85 -118.57 -174.9 2.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.276 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.67 -40.59 72.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.75 78.25 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mm -41.81 142.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.611 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -79.6 -38.5 33.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.3 p -179.09 -178.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 t -149.18 147.91 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.814 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -164.51 145.93 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.587 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 5.2 m-85 -116.92 141.91 47.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.506 -1.224 . . . . 0.0 108.87 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LEU . 6.6 m -142.92 -166.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -99.02 157.58 16.24 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.236 0.541 . . . . 0.0 111.521 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -38.0 -46.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.287 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -70.05 -47.26 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.007 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -52.11 -63.69 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.922 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -48.08 -37.84 16.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -63.81 -32.95 74.63 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.02 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.561 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 65.1 t80 -61.26 -30.77 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -91.72 18.36 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.377 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.1 tp -92.81 -18.13 23.26 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.67 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.47 -26.1 12.53 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.734 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.561 ' NZ ' ' CE2' ' A' ' 82' ' ' PHE . 40.8 mmtm -43.32 -52.78 5.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.036 0.446 . . . . 0.0 110.077 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' H ' ' CD1' ' A' ' 87' ' ' LEU . 8.0 mp -39.58 161.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.505 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -163.14 150.27 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -136.45 -56.68 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.523 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -70.83 159.17 35.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.652 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t 179.86 101.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -166.77 1.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.55 ' CG ' ' H ' ' A' ' 94' ' ' THR . 32.1 t0 -67.98 -140.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.55 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 8.4 t -84.86 146.16 27.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.496 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 97' ' ' GLN . 0.4 OUTLIER -161.95 19.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.559 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.76 83.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.487 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 95' ' ' LEU . 55.8 tt0 -165.09 -57.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -166.43 -55.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 t -169.32 -93.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.998 -1.446 . . . . 0.0 110.941 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.41 ' HG3' ' H ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.7 mt-10 -79.86 -38.98 31.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 8.7 tt0 -42.31 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CD2' ' CE2' ' A' ' 32' ' ' PHE . 5.0 t80 -44.58 -45.85 9.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.698 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.404 ' O ' ' OG ' ' A' ' 9' ' ' SER . 8.9 t-20 -59.97 -28.15 67.42 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.114 179.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.76 -60.86 2.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.56 -44.69 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 24.2 ttpp -60.51 -50.09 74.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.486 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 58.2 m -57.58 -21.48 39.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.075 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -66.39 -37.87 86.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.95 -45.24 94.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.635 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' GLU . 65.3 mttm -39.08 -53.04 1.84 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.6 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.7 t-160 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.678 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -88.29 28.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.599 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.6 tt0 -48.83 -59.44 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -80.77 8.08 8.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.269 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -126.44 53.72 1.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.593 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -84.23 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.893 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.593 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -29.32 -63.89 0.13 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 50.8 t80 -40.5 -49.66 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.0 t-80 -63.06 -61.82 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.396 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.26 -13.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.004 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -101.85 -60.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.605 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 61.8 m-85 -75.71 -71.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.549 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.497 ' CD1' ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -64.94 -65.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' HIS . 6.8 ttmm 67.16 -71.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -172.72 101.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.455 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.2 mm -83.11 -150.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.455 ' H ' HG22 ' A' ' 29' ' ' ILE . 2.0 t-20 -170.07 20.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.251 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -143.0 99.45 3.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.033 0.444 . . . . 0.0 110.618 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' CD2' ' A' ' 4' ' ' PHE . 29.7 p90 -148.51 117.72 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.84 145.59 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.203 0.525 . . . . 0.0 112.075 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.72 61.18 1.68 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.729 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -127.13 41.15 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -158.35 35.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.37 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 57.53 17.39 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.397 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.9 t -150.25 163.39 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mp -119.85 116.94 26.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 0.0 110.283 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -118.02 145.04 45.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 44.2 mt -143.17 138.47 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 -179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.1 mm? -64.27 139.25 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.021 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 tp -156.8 103.64 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -87.25 -34.04 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -45.61 113.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.92 -50.3 64.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.08 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 34.6 m-85 -57.78 -63.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 109.988 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ARG . . . -40.26 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.427 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 27.9 ttt-85 -36.34 -37.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.006 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 4.2 t-20 -54.66 -57.43 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.428 0.633 . . . . 0.0 110.546 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -48.75 22.12 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.098 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -46.29 -57.19 4.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -70.46 -10.59 59.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.919 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.77 -27.75 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.407 HD22 ' C ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -156.59 71.56 0.7 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.147 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.0 p -102.52 54.47 0.78 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.47 41.41 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.283 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.518 ' H ' ' C ' ' A' ' 56' ' ' SER . 10.5 mm -66.35 -13.65 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.471 ' CD1' ' O ' ' A' ' 70' ' ' LYS . 3.3 tt -71.85 -6.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.484 0.659 . . . . 0.0 109.56 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -34.79 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.09 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.448 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.28 -43.0 3.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -179.277 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.659 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -43.55 -31.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -65.52 31.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.072 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.659 ' H ' ' C ' ' A' ' 62' ' ' ALA . 3.0 t -135.9 96.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.745 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 64' ' ' SER . 3.7 mt 146.5 -27.91 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.816 0.697 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.511 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 9.0 m-85 -118.44 -175.38 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.15 -25.88 67.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.165 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 157.99 83.25 0.04 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.409 ' CG2' ' N ' ' A' ' 70' ' ' LYS . 8.3 mm -48.17 157.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.413 . . . . 0.0 110.671 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.471 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 8.4 tttp -100.78 -106.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.663 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 70' ' ' LYS . 71.2 m -103.53 177.11 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.422 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -145.89 143.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.768 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.576 ' ND2' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -170.8 157.89 5.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.497 0.665 . . . . 0.0 112.181 -179.692 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.672 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -127.73 148.35 50.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.174 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 13.9 m -145.44 -156.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.282 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -107.28 162.43 13.91 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 -179.471 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' ASN . 35.5 tp10 -35.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.679 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -49.91 -51.84 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.797 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -63.29 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -41.63 -49.51 4.15 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.2 t80 -53.54 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.937 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 81' ' ' PHE . 64.3 t80 -32.02 -39.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.9 t-20 -78.85 -51.67 9.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.56 -11.57 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -83.44 -23.44 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.412 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -98.1 32.0 2.56 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.653 ' CD2' ' N ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -57.94 -155.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.725 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 89' ' ' GLU . 44.0 tt0 -48.37 -13.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.745 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 87' ' ' LEU . 10.9 tp10 78.35 80.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.501 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.614 HD22 ' N ' ' A' ' 91' ' ' SER . 0.2 OUTLIER -169.23 141.67 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.614 ' N ' HD22 ' A' ' 90' ' ' ASN . 10.3 t -160.82 60.97 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 -172.13 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.06 103.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.759 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.483 ' C ' ' H ' ' A' ' 96' ' ' TYR . 15.3 t -116.97 44.15 2.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.621 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.627 ' H ' ' CD2' ' A' ' 95' ' ' LEU . 1.1 mm? -74.09 14.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.49 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.483 ' H ' ' C ' ' A' ' 94' ' ' THR . 32.3 t80 55.27 117.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.687 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' A' ' 98' ' ' ASN . 11.8 pt20 -165.6 -34.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 97' ' ' GLN . 14.0 m120 -160.71 106.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.9 t -163.14 -38.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.036 -1.424 . . . . 0.0 110.925 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.52 ' SD ' ' OE2' ' A' ' 2' ' ' GLU . 35.2 ttm . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.537 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -73.22 -29.09 62.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.706 0.289 . . . . 0.0 110.458 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.2 tt0 -39.39 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 4.1 t80 -45.86 -43.27 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.665 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.419 ' O ' ' OG ' ' A' ' 9' ' ' SER . 6.8 t-20 -63.57 -25.44 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.74 -63.65 1.33 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 1.4 t80 -55.02 -40.13 69.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.16 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 19.6 ttpp -68.87 -43.54 75.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.419 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 38.8 m -63.75 -17.35 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.841 -179.191 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.475 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -76.46 -29.41 56.92 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.68 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 14' ' ' HIS . 4.8 mt -67.2 -42.44 84.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLU . 90.1 mttt -38.48 -51.85 1.58 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.994 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' CA ' ' HZ1' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -50.56 -43.7 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.397 0.617 . . . . 0.0 109.494 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.9 t-160 -69.36 -61.33 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.317 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.36 30.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.8 tt0 -41.84 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.811 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.488 ' C ' ' H ' ' A' ' 19' ' ' ILE . 16.1 mtpp -74.24 -25.54 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -72.44 41.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.668 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.636 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 2.8 tp -70.26 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.636 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -27.97 -39.48 0.01 OUTLIER Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' ILE . 83.9 t80 -75.63 -48.49 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.334 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.1 t-80 -65.92 -16.62 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -90.6 -5.18 56.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -89.8 -71.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.732 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 9.2 m-85 -111.85 -59.72 1.95 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.3 mm -41.51 -49.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.211 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 26' ' ' ILE . 63.0 tttt 18.64 -130.93 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.424 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 29' ' ' ILE . 10.9 t70 -125.5 68.5 1.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.162 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.453 ' O ' ' O ' ' A' ' 28' ' ' ASP . 1.3 mt -58.15 -145.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.449 ' H ' ' CG2' ' A' ' 29' ' ' ILE . 37.3 p-10 -167.62 23.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -135.52 87.73 2.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.332 0.586 . . . . 0.0 110.514 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 51.2 p90 -149.84 125.97 10.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.034 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.45 143.03 42.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.063 0.458 . . . . 0.0 111.62 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 8.7 p90 -134.66 56.78 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.872 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -122.13 53.0 1.24 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.563 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -174.98 53.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.207 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.9 p30 42.64 17.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ASN . 97.5 t -148.61 160.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.449 HD11 ' N ' ' A' ' 39' ' ' LEU . 5.7 mp -121.8 119.82 32.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.58 143.33 46.85 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.4 mt -139.15 136.7 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.185 0.517 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.71 132.54 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.651 -179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' VAL . 57.1 tp -158.52 108.19 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.283 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -90.1 -49.13 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.525 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 17.1 m-80 -42.19 118.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -67.3 -35.81 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.654 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' ASN . 68.1 m-85 -63.36 -68.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 109.967 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.87 -40.31 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.375 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -71.05 -38.59 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.378 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' PHE . 18.5 t-20 -52.02 -49.6 63.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.941 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.74 -43.86 13.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.623 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' O ' ' OG ' ' A' ' 56' ' ' SER . 29.4 mt -51.56 -48.81 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.902 -178.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -77.74 -12.55 59.98 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.0 -27.71 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -150.83 57.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.198 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.544 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.6 m -77.16 45.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.505 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.85 29.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.445 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.544 ' H ' ' C ' ' A' ' 56' ' ' SER . 26.8 mm -63.27 -19.65 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.46 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 5.1 tt -67.23 1.98 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.426 0.631 . . . . 0.0 109.808 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 58' ' ' ILE . 23.0 m170 -78.35 -49.04 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.929 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.567 ' H ' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -100.7 -41.75 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.801 -179.059 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.97 -33.77 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -81.63 29.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.759 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -109.34 -34.67 6.48 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.3 -76.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.541 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 42.4 p90 -119.48 114.03 21.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -54.63 158.1 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.4 -10.93 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.3 mm -59.55 89.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.082 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -66.35 -34.93 79.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.949 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.4 t 179.06 -176.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.526 ' N ' ' OG ' ' A' ' 71' ' ' SER . 4.2 t -144.6 141.3 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.74 HD22 ' H ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -157.51 153.0 26.33 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.453 0.644 . . . . 0.0 111.826 -179.29 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.74 ' H ' HD22 ' A' ' 73' ' ' ASN . 0.1 OUTLIER -127.4 145.69 50.73 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.62 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' LEU . 5.8 m -147.22 -169.69 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -90.68 155.63 18.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.067 0.46 . . . . 0.0 111.171 -179.457 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -41.15 -42.84 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.802 -179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -70.81 -50.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.724 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 76' ' ' ASN . 3.3 m-20 -56.31 -53.75 53.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.171 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -55.54 -44.4 76.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.78 -35.25 72.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.136 0.493 . . . . 0.0 110.588 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.54 -27.5 67.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.791 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -68.99 -42.86 75.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.586 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -85.83 -18.03 34.03 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.453 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.22 -27.3 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -54.43 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.743 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -43.9 114.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.61 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -155.79 10.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.177 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -155.43 -39.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.459 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.519 ' CG ' ' H ' ' A' ' 91' ' ' SER . 10.9 t-20 -172.69 -132.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.519 ' H ' ' CG ' ' A' ' 90' ' ' ASN . 86.6 p -148.29 155.67 41.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.51 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -173.39 150.01 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.43 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 94' ' ' THR . 42.1 t0 -77.51 172.15 13.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.471 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 8.9 t -66.73 -175.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.6 151.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -152.96 -60.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.244 0.545 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -174.59 152.23 1.63 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.566 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -71.32 136.07 47.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.3 m -167.42 -67.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.71 0 CA-C-O 118.004 -1.442 . . . . 0.0 110.857 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mmt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.3 mt-10 -79.28 14.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' A' ' 6' ' ' ALA . 2.1 tp-100 -44.92 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -43.22 -51.14 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.73 -26.6 65.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.514 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.523 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -80.35 -60.47 2.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -44.96 96.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -62.07 -48.78 78.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -57.65 -27.2 62.63 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.047 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -66.21 -30.36 70.8 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.013 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.1 mt -68.18 -44.24 76.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 11' ' ' LEU . 43.5 tttp -36.99 -55.05 0.94 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -53.21 -40.56 64.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.1 t60 -71.2 -62.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.523 ' CD1' ' OG1' ' A' ' 18' ' ' THR . 3.1 m-85 -78.2 22.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' H ' ' C ' ' A' ' 14' ' ' HIS . 37.1 tt0 -48.08 -27.55 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.584 179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 19' ' ' ILE . 86.3 mttt -91.13 -47.01 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.743 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.523 ' OG1' ' CD1' ' A' ' 15' ' ' TYR . 7.8 p -70.65 41.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.7 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 5.0 tt -58.34 -85.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.2 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.7 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -28.23 -57.73 0.13 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' GLY . 76.7 t80 -39.58 -47.64 1.96 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.603 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.8 t-80 -62.31 -52.0 65.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.173 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.57 -2.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.665 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.569 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -96.86 -74.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.408 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' LYS . 7.0 m-85 -102.82 -66.8 0.91 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.052 -0.659 . . . . 0.0 112.088 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 26' ' ' ILE . 5.7 mm -38.72 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.193 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 25' ' ' TYR . 70.3 tttt -81.75 -39.0 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.716 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 25' ' ' TYR . 37.7 t70 -68.8 -35.42 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.006 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 ' CG2' ' N ' ' A' ' 30' ' ' ASN . 72.9 mt -43.09 158.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.43 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 30.9 p30 -164.24 16.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -135.86 113.23 10.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 110.785 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -152.91 129.35 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.74 143.22 41.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.323 0.582 . . . . 0.0 111.829 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.68 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.4 t80 -131.27 54.01 1.95 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.808 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' C ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -135.14 90.01 2.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 1.2 p30 169.02 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.069 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 21.7 p-10 142.23 10.3 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.073 0.858 . . . . 0.0 110.629 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 40.3 t -153.95 170.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.464 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 6.2 mp -118.39 115.36 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 145.33 45.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.342 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.09 134.75 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -66.73 133.66 50.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.7 tp -150.83 108.56 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.18 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -90.38 -40.05 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.729 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 25.0 m120 -42.26 114.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -68.23 -39.51 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.067 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -62.33 -66.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.014 0.435 . . . . 0.0 109.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' SER . . . -43.11 -69.47 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.107 0.48 . . . . 0.0 110.031 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 14.4 ttp85 -36.05 -40.46 0.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.248 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 11.6 t-20 -57.71 -47.82 81.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.517 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 25.7 p -81.16 -55.07 4.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.592 -1.186 . . . . 0.0 112.643 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' N ' ' OG ' ' A' ' 51' ' ' SER . 33.8 mt -44.05 -54.73 5.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.817 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.597 HD22 ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -70.73 -11.14 60.76 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.917 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.597 ' N ' HD22 ' A' ' 53' ' ' ASN . 6.6 t70 -72.4 -29.41 63.71 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.417 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.7 t30 -149.83 62.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.812 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -96.43 51.27 1.18 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.201 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.445 ' C ' ' H ' ' A' ' 59' ' ' ILE . 13.2 mt-10 -79.2 47.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.279 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.1 mm -62.8 0.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.381 -179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.445 ' H ' ' C ' ' A' ' 57' ' ' GLU . 2.5 tt -89.02 -29.1 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -55.75 -14.37 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.789 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.608 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -126.39 -48.54 1.56 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 8.93 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.608 ' H ' ' C ' ' A' ' 61' ' ' LEU . 16.7 pt-20 -90.16 26.15 1.97 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.635 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' TYR . 72.1 p -121.79 -69.23 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.711 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -39.58 -27.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.958 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.3 m-85 -119.27 170.62 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.4 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -59.13 -31.14 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.88 85.4 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mm -47.2 146.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.464 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.9 -39.43 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.151 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 20.2 t -174.87 175.94 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.419 ' N ' ' OG ' ' A' ' 71' ' ' SER . 8.7 t -148.91 147.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.996 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 9.2 t-20 -173.28 159.52 3.82 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.612 0.72 . . . . 0.0 112.011 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.584 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -131.43 148.5 52.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.062 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.66 -155.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' GLU . 1.3 m-20 -106.01 161.37 14.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' ASN . 9.7 tm-20 -35.38 -68.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.585 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.95 -50.69 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.171 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -51.56 -62.03 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.689 -179.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.407 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 8.2 t80 -40.9 -46.73 2.84 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 0.0 110.33 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' ASN . 59.6 t80 -55.46 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' PHE . 24.0 t80 -35.69 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 13.0 t30 -75.75 -51.99 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.407 ' CD2' ' CZ ' ' A' ' 80' ' ' PHE . 1.8 pp -80.4 -15.94 55.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 110.494 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.414 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -77.96 -32.92 51.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 87' ' ' LEU . 3.9 tppt? -53.07 -80.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER 38.99 -162.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.802 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 59.85 -133.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.482 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 45.25 61.05 2.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.563 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -44.24 145.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.0 p -151.91 155.01 37.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.593 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 -85.79 -125.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -44.98 148.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 95' ' ' LEU . 8.8 t -94.09 155.89 16.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.532 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 97' ' ' GLN . 6.7 mp 46.49 97.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.363 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -57.23 84.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' LEU . 60.4 tt0 -169.93 -76.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.563 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -154.1 -160.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.6 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.4 m -121.09 -75.71 0.59 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.482 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.784 0 CA-C-O 118.087 -1.396 . . . . 0.0 110.852 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.593 ' N ' ' SD ' ' A' ' 1' ' ' MET . 2.8 mpp? . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.2 pt-20 -80.62 -16.71 53.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.1 tt0 -42.77 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.256 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.597 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 1.6 p90 -45.04 -44.96 10.54 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.089 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.597 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -62.4 -26.92 68.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.512 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -79.13 -61.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.365 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -42.31 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 109.913 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -67.74 -45.64 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 11.4 p -57.91 -21.64 44.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.095 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.17 -45.93 65.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.361 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.3 mt -51.81 -44.17 63.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLU . 3.7 ttmp? -38.7 -62.32 0.62 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.051 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -41.04 3.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.5 . . . . 0.0 110.119 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.465 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.4 OUTLIER -71.39 -60.85 2.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.261 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -90.88 31.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.384 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 12' ' ' LYS . 5.1 pt-20 -47.72 -47.89 29.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.756 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -93.28 2.56 56.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -124.81 46.62 2.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.574 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 15.2 tt -88.24 -59.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.724 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.574 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -30.51 -59.46 0.23 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' GLY . 20.1 t80 -39.54 -46.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 19' ' ' ILE . 13.6 t-80 -63.0 -57.61 10.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.532 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -15.32 12.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -57.76 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -77.7 -73.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.469 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -62.23 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.281 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 22' ' ' HIS . 23.9 mtmt 64.93 -176.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -55.89 80.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.5 tp -53.09 163.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.035 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.454 ' H ' HG13 ' A' ' 29' ' ' ILE . 20.5 m120 -145.74 8.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.558 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.47 88.67 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.37 0.605 . . . . 0.0 110.456 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -159.46 145.31 16.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.232 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -149.04 152.13 12.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.124 0.488 . . . . 0.0 111.473 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 12.3 p90 -137.11 63.2 1.57 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.011 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -119.85 21.87 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.545 ' C ' ' H ' ' A' ' 38' ' ' VAL . 77.8 m-20 -128.09 29.14 5.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.848 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 74.88 -18.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.0 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.564 ' CG1' ' H ' ' A' ' 39' ' ' LEU . 15.9 t -118.5 178.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.379 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.564 ' H ' ' CG1' ' A' ' 38' ' ' VAL . 5.8 mp -123.18 121.39 35.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 10.2 tt -118.59 144.02 46.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.657 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.01 131.1 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.112 0.482 . . . . 0.0 110.693 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 5.6 tt -78.56 90.46 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' VAL . 26.8 tp -99.72 120.5 39.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.109 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' ASN . 34.3 mt-10 -91.24 -71.41 0.63 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.824 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 88.1 m-20 -29.42 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.945 -178.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.26 -40.81 25.87 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.9 m-85 -60.23 -66.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 0.0 109.814 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.59 -32.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.518 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.62 ' NH1' ' ND2' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -82.66 -32.95 27.92 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.796 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -52.63 -47.21 67.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.498 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -44.63 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.674 -178.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.45 ' O ' ' OG ' ' A' ' 56' ' ' SER . 26.0 mt -47.71 -55.49 9.39 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.264 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -72.17 -9.72 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.839 -179.461 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.84 -31.9 59.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.353 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -165.88 68.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 1.6 m -91.23 -91.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 71.93 51.29 0.22 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.652 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.434 ' O ' ' CG2' ' A' ' 58' ' ' ILE . 51.7 mt -71.91 -0.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.167 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.433 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 4.2 tt -83.86 -3.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -75.85 -10.69 59.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.068 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -138.69 -35.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.6 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.579 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -61.03 -25.23 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.342 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.59 34.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.108 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.579 ' H ' ' C ' ' A' ' 62' ' ' ALA . 33.4 m -129.71 -31.64 1.97 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.991 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tp -86.81 -25.34 24.63 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.565 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.429 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 18.9 m-85 -117.82 -172.83 2.32 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.6 95.7 10.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.783 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 40.62 73.35 0.2 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLY . 3.4 mm -38.59 141.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.469 ' O ' ' OG ' ' A' ' 71' ' ' SER . 40.2 mttm -84.22 -39.44 19.31 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.596 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.469 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.8 m -179.25 -178.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.988 0.423 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 t -149.15 146.9 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.64 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -165.55 165.44 18.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.099 0.476 . . . . 0.0 111.429 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -129.56 165.18 22.22 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.431 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -153.13 -164.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.522 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.62 ' ND2' ' NH1' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -122.68 178.39 5.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.107 0.48 . . . . 0.0 111.433 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -34.11 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.255 -178.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.92 -51.03 69.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.6 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.462 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 7.4 m-20 -52.57 -61.2 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.39 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.82 -43.65 8.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.214 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.9 t80 -60.4 -67.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' PHE . 78.9 t80 -28.55 -38.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.03 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.0 t30 -76.8 -50.22 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.308 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . 43.2 tp -74.3 -25.3 59.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -71.17 -9.57 58.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.526 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -50.55 -44.14 56.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.709 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.87 132.14 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.32 134.03 45.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -113.94 -96.52 0.45 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.506 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.93 144.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.638 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t -162.9 -2.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -78.75 -165.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.527 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.59 8.91 3.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.691 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.1 t -81.31 111.8 18.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 10.2 mp -94.77 147.71 23.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.292 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.452 ' CD2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -44.0 124.49 3.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.386 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -166.9 92.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -72.21 -73.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 t -168.68 2.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.529 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 CA-C-O 118.022 -1.432 . . . . 0.0 110.917 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.526 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 2.4 ptt? . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.526 ' H ' ' CG ' ' A' ' 1' ' ' MET . 8.5 pt-20 -89.82 -30.74 17.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.475 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' ALA . 11.4 tt0 -41.44 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -43.48 -49.23 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.899 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 11.2 t-20 -61.16 -27.34 68.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.519 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.51 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.65 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.862 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -56.0 -44.11 78.32 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.614 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 24.2 ttmt -65.44 -44.15 88.23 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 7.1 p -57.64 -24.74 58.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.403 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -64.23 -40.92 97.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 14' ' ' HIS . 22.1 mt -58.8 -48.28 81.81 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' LEU . 56.0 tttm -36.48 -57.33 0.76 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.976 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -51.2 -43.31 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.122 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -68.35 -65.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.392 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -77.95 24.06 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' H ' ' C ' ' A' ' 14' ' ' HIS . 5.1 tp10 -46.67 -63.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.446 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -79.67 -0.58 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.2 41.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.662 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 12.4 tt -77.55 -67.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.662 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -29.1 -37.05 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 19' ' ' ILE . 72.9 t80 -77.24 -48.95 16.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.038 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 55.4 t-80 -62.77 -25.83 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.651 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.42 -5.43 59.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.343 0.592 . . . . 0.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -92.41 -53.02 4.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.566 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 29.1 m-85 -120.69 -70.62 0.78 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.618 -0.833 . . . . 0.0 112.174 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.535 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.9 mt -41.18 -41.94 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.641 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 26' ' ' ILE . 23.3 ttpp 22.85 -107.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.44 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 29' ' ' ILE . 45.2 t0 -157.01 71.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.327 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.462 ' O ' ' OD1' ' A' ' 30' ' ' ASN . 1.4 mt -57.72 -149.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.503 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.462 ' OD1' ' O ' ' A' ' 29' ' ' ILE . 47.6 m-20 -154.67 23.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.447 ' NE ' ' O ' ' A' ' 30' ' ' ASN . 2.8 mmp_? -136.12 90.87 2.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.343 0.592 . . . . 0.0 110.72 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 48.8 p90 -147.57 127.51 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.72 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.81 139.76 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.181 0.515 . . . . 0.0 112.032 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -134.16 141.59 47.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.847 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 28.9 mtmm -120.03 -34.79 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 12.1 t30 140.31 -18.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.995 0.809 . . . . 0.0 109.603 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -99.32 -42.02 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.205 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.7 t -148.53 157.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.363 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.3 mp -127.68 127.53 43.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.107 179.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.06 143.71 46.97 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.901 0.382 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.8 mt -139.51 136.6 40.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -59.09 134.59 57.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.282 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' VAL . 14.2 tp -159.06 100.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.698 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 46' ' ' GLU . 25.6 mt-10 -87.29 -55.98 3.57 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.394 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.608 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 17.8 m120 -35.02 89.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.4 tt0 -40.26 -30.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 50' ' ' ASN . 74.6 t80 -68.39 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.81 -28.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.452 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.563 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 0.1 OUTLIER -85.25 -33.59 22.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.949 0.404 . . . . 0.0 110.1 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.9 t-20 -55.03 -41.64 71.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -49.58 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.691 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -46.68 -58.75 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -11.02 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.71 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.24 -29.13 53.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.954 0.407 . . . . 0.0 110.27 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -165.1 52.67 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -80.28 -89.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.567 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 70.4 50.26 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 34.6 mm -67.05 -5.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 7.2 tt -79.69 -7.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.259 0.552 . . . . 0.0 109.597 179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -72.77 -15.65 61.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.036 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.572 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -129.84 -45.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 0.0 109.781 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.515 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -54.58 -24.95 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.292 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -61.66 1.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -178.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' A' ' 65' ' ' LEU . 25.1 p -96.38 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.985 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.539 ' N ' ' OG ' ' A' ' 64' ' ' SER . 0.2 OUTLIER -38.53 -24.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.799 -179.515 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.2 m-85 -118.84 175.51 5.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.73 -27.55 69.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.36 84.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mm -44.95 146.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.454 ' O ' ' OG ' ' A' ' 71' ' ' SER . 5.2 mmtp -90.08 -43.48 10.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 1.3 m -169.59 171.23 7.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 t -147.48 145.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.015 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.54 HD22 ' N ' ' A' ' 74' ' ' PHE . 0.5 OUTLIER -164.97 154.68 13.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.482 0.658 . . . . 0.0 111.665 -179.345 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.74 146.1 52.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.385 179.682 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' LEU . 28.4 m -149.13 -160.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.948 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.563 ' OD1' ' NH1' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -99.15 164.41 12.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.2 0.524 . . . . 0.0 111.039 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.6 tt0 -37.37 -70.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.601 -179.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -49.15 -52.47 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.959 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 5.2 m-20 -50.19 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.23 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -42.53 -43.83 3.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t80 -58.98 -68.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.324 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.6 t80 -29.97 -38.71 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -73.88 -49.23 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.095 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.8 tp -73.92 -19.18 60.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.051 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.89 -33.47 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.719 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 88' ' ' GLU . 39.3 tptt -47.1 -51.5 17.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.688 ' CD2' ' H ' ' A' ' 87' ' ' LEU . 2.8 mm? -41.47 89.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.591 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 86' ' ' LYS . 29.7 mm-40 -86.43 -83.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -159.81 -39.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.437 ' O ' ' OG ' ' A' ' 91' ' ' SER . 18.9 m120 -110.84 104.69 13.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' A' ' 90' ' ' ASN . 3.3 m -167.57 -1.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -111.2 -70.62 0.8 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t70 61.63 135.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 t -117.29 175.56 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.468 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.416 ' H ' HD12 ' A' ' 95' ' ' LEU . 1.9 mp -106.47 -7.2 17.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.504 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.78 -149.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' A' ' 98' ' ' ASN . 2.7 tm0? -120.4 114.64 22.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.455 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.415 ' O ' ' OE1' ' A' ' 97' ' ' GLN . 79.1 m-20 -77.37 -123.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 23.5 m -161.77 -11.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.607 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 118.0 -1.445 . . . . 0.0 110.911 179.948 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 54.2 mt-10 -83.74 16.16 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.707 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.543 ' O ' ' N ' ' A' ' 6' ' ' ALA . 45.5 tt0 -40.8 -80.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.206 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -49.19 -41.25 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -25.2 64.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -73.36 -59.56 2.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -59.14 -52.79 64.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.809 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -53.99 -27.86 34.23 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.953 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.14 -41.64 97.11 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.0 mt -57.3 -44.83 84.42 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -38.59 -56.47 1.29 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -41.8 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.785 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 38.1 t60 -67.48 -68.16 0.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.371 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -73.69 20.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -56.82 -23.0 40.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.313 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -87.0 -66.33 0.92 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 39.64 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.329 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.637 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 12.5 tt -41.36 -65.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.637 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -27.36 -56.26 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -42.55 -47.84 5.24 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' N ' ' O ' ' A' ' 19' ' ' ILE . 25.0 t-80 -62.79 -47.92 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 7.3 t0 -66.11 2.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.412 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.528 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -98.28 -56.38 2.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.891 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LYS . 42.7 m-85 -127.15 -61.17 1.17 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.072 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.423 HG23 HD11 ' A' ' 26' ' ' ILE . 9.9 mm -38.28 -23.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 25' ' ' TYR . 44.4 tttm -81.96 -57.78 3.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.44 89.41 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 tp -158.48 161.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.104 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 30' ' ' ASN . 12.7 t-20 -165.76 19.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.364 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -138.9 108.87 6.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.322 0.582 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CD2' ' N ' ' A' ' 32' ' ' PHE . 9.5 p90 -156.69 138.35 14.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.03 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -145.91 153.36 13.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.304 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -137.6 145.91 43.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.41 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -176.28 -21.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.947 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.511 ' C ' ' H ' ' A' ' 38' ' ' VAL . 62.8 m-80 -119.7 44.72 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.14 4.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.39 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.511 ' H ' ' C ' ' A' ' 36' ' ' ASN . 79.3 t -119.65 156.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.065 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.9 mp -124.86 123.27 39.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.514 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.22 141.28 48.36 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.7 mt -140.49 135.73 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.551 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.7 mm? -65.25 136.91 57.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.148 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -159.41 98.58 1.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.78 -28.77 27.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 31.6 m120 -43.49 112.62 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -64.76 -48.18 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.054 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 29.7 m-85 -60.88 -64.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 51' ' ' SER . . . -41.33 -73.18 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.23 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 48' ' ' ALA . 29.1 ttt-85 -36.61 -38.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.78 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 1.6 t30 -54.93 -47.73 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.297 0.57 . . . . 0.0 110.311 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -86.24 -48.29 8.67 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.132 -179.07 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.7 mt -47.0 -53.85 11.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.137 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -73.94 -9.83 59.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.826 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.54 -28.99 61.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.248 0.547 . . . . 0.0 109.558 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -150.85 61.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.984 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.527 ' C ' ' H ' ' A' ' 58' ' ' ILE . 77.3 p -83.27 47.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.951 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.421 ' C ' ' H ' ' A' ' 59' ' ' ILE . 11.6 pt-20 -75.64 32.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.076 179.457 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.527 ' H ' ' C ' ' A' ' 56' ' ' SER . 22.0 mm -60.6 -5.47 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.747 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.421 ' H ' ' C ' ' A' ' 57' ' ' GLU . 7.8 tt -79.7 -12.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.5 -20.86 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.059 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.569 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.89 -45.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.021 0.438 . . . . 0.0 110.441 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.513 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.06 -15.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.845 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.53 33.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.829 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' TYR . 85.3 p -130.66 -70.26 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.466 ' N ' ' OG ' ' A' ' 64' ' ' SER . 3.4 tm? -37.58 -24.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.438 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.563 ' N ' ' O ' ' A' ' 64' ' ' SER . 13.8 m-85 -118.85 -179.52 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.028 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 67' ' ' GLU . 6.2 pm0 -69.36 -38.73 78.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.33 89.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mm -59.01 137.98 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.795 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -37.37 52.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.846 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.4 p 178.01 -176.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.684 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.2 144.15 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.535 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 35.2 t-20 -163.82 152.36 13.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.562 0.696 . . . . 0.0 112.346 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.656 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -121.28 153.11 38.1 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.51 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.5 m -146.87 -159.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.242 -179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.98 153.65 22.26 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.231 0.539 . . . . 0.0 111.129 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.418 ' HG3' ' H ' ' A' ' 78' ' ' GLN . 2.7 pt-20 -33.41 -53.71 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.443 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.418 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -65.58 -44.67 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.267 -178.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -52.66 -63.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.39 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.7 t80 -46.33 -38.63 9.02 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -28.93 70.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.544 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ASP . 81.0 t80 -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 1.1 t30 -94.37 23.64 5.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.66 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -92.57 -72.57 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.634 179.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -48.53 -24.08 1.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.958 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' ALA . 25.9 tptp -39.43 -42.43 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.368 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mp -42.33 114.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.388 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.402 ' CG ' ' H ' ' A' ' 89' ' ' GLU . 11.9 tt0 -78.57 -130.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.454 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.402 ' H ' ' CG ' ' A' ' 88' ' ' GLU . 4.1 tp10 -71.42 -3.9 23.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.477 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 91' ' ' SER . 1.2 t30 -66.8 157.65 32.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.447 ' N ' ' ND2' ' A' ' 90' ' ' ASN . 13.3 m -153.66 159.85 42.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.471 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 93' ' ' ASP . 8.5 mmm180 -135.89 2.11 2.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.511 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.7 OUTLIER 50.96 103.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -96.19 6.39 48.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.573 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 8.0 mp 45.96 -169.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.394 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -160.65 141.53 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -139.89 -119.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.547 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.76 34.43 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.513 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 p -175.31 51.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.649 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.944 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 6' ' ' ALA . 38.9 mm-40 -89.83 -18.96 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.626 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' A' ' 6' ' ' ALA . 37.0 tt0 -43.14 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.994 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -44.48 27.95 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -55.01 -28.63 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.572 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -76.47 -57.2 4.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.416 ' O ' ' CB ' ' A' ' 10' ' ' LEU . 7.8 t80 -63.33 -55.78 21.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.4 -54.56 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.705 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -55.33 -28.16 51.89 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.502 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' A' ' 7' ' ' PHE . 0.5 OUTLIER -63.09 -39.84 95.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.834 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 14' ' ' HIS . 8.1 mt -60.04 -53.44 57.72 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.6 tttp -34.51 -57.61 0.51 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.107 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -54.74 -43.13 72.42 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.587 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.5 t60 -59.75 -58.58 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.006 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.474 ' CB ' ' HG1' ' A' ' 18' ' ' THR . 3.5 m-85 -92.32 30.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.09 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.8 -36.81 72.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' NZ ' ' CB ' ' A' ' 17' ' ' LYS . 8.1 mtpm? -81.43 -43.61 18.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.182 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.474 ' HG1' ' CB ' ' A' ' 15' ' ' TYR . 1.3 p -78.24 32.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.212 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.702 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 6.2 tt -44.09 -80.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.702 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -26.38 -61.63 0.08 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -45.07 -46.83 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.033 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 19' ' ' ILE . 15.6 t-80 -68.56 -25.55 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 20' ' ' GLY . 9.4 t70 -90.56 -13.8 33.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.228 0.537 . . . . 0.0 109.838 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -89.62 -49.23 6.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.259 -179.059 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 27' ' ' LYS . 68.7 m-85 -118.05 -75.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.312 -0.955 . . . . 0.0 112.348 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.4 HG23 HD11 ' A' ' 26' ' ' ILE . 97.6 mt -39.9 -19.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.345 -178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 25' ' ' TYR . 2.8 tmtm? -63.6 -31.45 72.62 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.289 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.56 57.42 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 5.7 mm -128.72 144.47 37.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -163.79 21.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.578 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -141.33 121.39 13.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.075 0.464 . . . . 0.0 110.713 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 29.2 p90 -163.74 140.56 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -148.3 161.69 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.713 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.25 73.72 1.45 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.88 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 63.2 mttm -119.26 81.27 1.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 8.1 m-20 161.53 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.774 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -166.37 22.62 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.352 179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' CG1' ' H ' ' A' ' 39' ' ' LEU . 41.6 t -154.61 171.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.08 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.501 ' H ' ' CG1' ' A' ' 38' ' ' VAL . 3.3 mp -119.54 122.76 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.96 139.77 50.26 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 0.0 109.949 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.421 HG21 HD13 ' A' ' 41' ' ' ILE . 54.1 mt -133.31 131.79 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.606 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.56 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -63.22 129.75 41.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.157 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 tp -152.59 99.9 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.043 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -80.4 -43.32 21.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.757 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -45.77 111.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.8 tp10 -61.44 -47.05 87.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -58.49 -65.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.875 0.369 . . . . 0.0 110.567 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.09 -32.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.531 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.9 ttp180 -78.08 -41.04 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.08 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -53.85 -35.81 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.326 0.584 . . . . 0.0 110.624 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.32 -47.19 7.91 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.475 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' O ' ' OG ' ' A' ' 56' ' ' SER . 9.8 mt -52.45 -51.91 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.931 -179.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -74.12 -18.98 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.098 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.496 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 23.8 t70 -69.51 -21.66 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.457 HD21 ' CD ' ' A' ' 57' ' ' GLU . 11.5 t-20 -158.5 72.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.026 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.602 ' C ' ' H ' ' A' ' 58' ' ' ILE . 23.7 m -92.14 50.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.457 ' CD ' HD21 ' A' ' 55' ' ' ASN . 26.5 mt-10 -70.06 34.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.911 0.386 . . . . 0.0 110.315 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.602 ' H ' ' C ' ' A' ' 56' ' ' SER . 31.6 mm -70.46 -0.55 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.2 tt -86.43 -3.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.389 0.614 . . . . 0.0 109.549 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -78.76 -15.32 58.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.967 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.565 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -127.66 -42.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.019 0.437 . . . . 0.0 110.017 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.646 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.32 -24.31 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.652 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.84 32.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.432 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.646 ' H ' ' C ' ' A' ' 62' ' ' ALA . 5.9 m -129.49 -64.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.27 -38.81 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.014 179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.603 ' C ' ' H ' ' A' ' 68' ' ' GLY . 40.3 m-85 -120.89 101.79 7.93 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.25 32.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.603 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -157.16 41.92 0.53 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -78.32 110.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' A' ' 71' ' ' SER . 3.9 mmmm -82.2 -35.57 28.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.2 m 178.61 -176.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.197 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 18.5 t -138.77 134.38 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.864 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 63.0 t30 -136.32 157.33 47.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 111.978 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 3.2 m-85 -137.63 131.49 31.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.057 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.07 -174.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.582 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.429 ' ND2' ' CG ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -89.99 166.52 13.41 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.206 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.518 ' CD ' ' H ' ' A' ' 77' ' ' GLU . 17.9 mp0 -38.93 -72.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.944 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' PHE . 15.0 tt0 -47.82 -52.84 17.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.496 ' O ' ' N ' ' A' ' 82' ' ' PHE . 29.1 m-20 -47.89 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -47.51 -38.32 13.74 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.58 -11.65 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.496 ' N ' ' O ' ' A' ' 79' ' ' ASP . 10.7 t80 -78.02 -41.33 36.12 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.84 -25.42 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.279 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.7 mm? -85.85 -13.63 47.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.36 43.46 3.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.684 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -147.68 9.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.067 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.46 5.92 13.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.387 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -92.76 64.86 4.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -149.98 75.37 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' CG ' ' H ' ' A' ' 91' ' ' SER . 6.1 t-20 67.53 -139.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.489 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.417 ' H ' ' CG ' ' A' ' 90' ' ' ASN . 52.1 p -161.54 124.87 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.4 ptt85 -62.62 161.75 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -156.39 -141.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.486 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -55.21 139.03 43.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.501 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.542 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 7.4 mp -71.75 -105.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 54.0 t80 -155.4 -8.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -173.56 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -50.17 142.06 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.8 t -171.0 -39.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.479 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.952 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.52 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 48.9 mmm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.542 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 2.2 pm0 -87.3 -35.7 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.425 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.533 ' O ' ' N ' ' A' ' 6' ' ' ALA . 22.7 mp0 -42.5 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 2.6 p90 -45.07 -44.96 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.005 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 37.9 t-20 -58.87 -31.45 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.748 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.533 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -76.65 -59.56 2.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.75 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.62 -46.93 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.136 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 34.1 ttpt -56.48 -53.74 53.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.018 0.437 . . . . 0.0 110.873 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.8 m -57.52 -23.58 51.05 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -36.28 81.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.433 178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 14' ' ' HIS . 10.2 mt -63.95 -45.34 89.58 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.901 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' LEU . 35.0 mtmt -37.41 -55.52 1.05 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.904 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -42.68 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.2 t-80 -64.43 -65.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.972 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.01 25.55 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.021 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.9 tp10 -45.92 -44.8 14.99 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.292 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -78.52 -40.77 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.231 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 44.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.265 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.689 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 10.7 tt -60.29 -74.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.717 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.689 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -27.07 -58.73 0.09 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -40.9 -46.88 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.979 0.418 . . . . 0.0 109.975 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' N ' ' O ' ' A' ' 19' ' ' ILE . 49.5 t-80 -63.11 -56.92 12.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.77 -4.01 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.92 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.565 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -93.94 -51.67 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.926 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 61.6 m-85 -129.85 -62.92 0.94 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.043 -0.663 . . . . 0.0 112.247 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.413 HD13 HG23 ' A' ' 26' ' ' ILE . 14.7 mm -37.86 -22.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.728 0.299 . . . . 0.0 111.074 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 29' ' ' ILE . 39.0 tttt -79.84 -147.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 29' ' ' ILE . 19.1 t70 30.63 -84.96 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.746 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 27' ' ' LYS . 97.4 mt -37.08 162.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.473 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 20.5 p30 -168.93 66.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -134.11 116.63 15.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -154.01 149.41 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.041 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.19 144.07 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' C ' ' A' ' 34' ' ' PHE . 6.8 p90 -134.48 145.19 48.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.609 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 20.8 tptt -117.61 -81.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 17.7 m120 -164.78 32.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.362 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 20.8 p-10 -171.94 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.983 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.417 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 46.7 t -147.61 162.58 7.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.842 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.417 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 7.3 mp -128.99 130.36 46.57 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.048 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.89 142.44 47.33 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.465 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -136.42 133.75 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 1.9 mm? -62.4 136.27 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 111.064 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 75' ' ' VAL . 15.3 tp -163.91 97.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.277 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' A' ' 45' ' ' ASN . 2.8 pp20? -84.45 -37.07 21.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.622 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 10.5 m120 -44.99 113.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.81 -43.42 94.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.524 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' A' ' 50' ' ' ASN . 4.7 m-85 -64.91 -68.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.322 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.83 -32.9 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.897 -179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -80.54 -35.76 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.79 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.4 t-20 -53.58 -54.93 30.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.332 0.587 . . . . 0.0 110.772 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -47.15 46.23 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.344 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.365 -178.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 2.1 t-20 -75.95 -17.71 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.276 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 53.1 m-20 -69.82 -24.67 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.447 HD21 ' CD ' ' A' ' 57' ' ' GLU . 4.9 t30 -155.99 69.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.069 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 58' ' ' ILE . 15.6 p -85.59 47.33 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.04 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.447 ' CD ' HD21 ' A' ' 55' ' ' ASN . 21.8 pt-20 -74.1 31.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.506 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.523 ' H ' ' C ' ' A' ' 56' ' ' SER . 68.0 mt -64.98 -17.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 tt -64.94 -12.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.156 0.503 . . . . 0.0 109.976 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -65.81 -25.37 67.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.137 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.19 -41.86 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.378 . . . . 0.0 110.489 -179.162 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.428 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -46.95 -32.98 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.711 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -52.3 -13.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.608 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.643 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 0.5 OUTLIER -91.29 94.03 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.342 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.643 ' HB2' ' O ' ' A' ' 64' ' ' SER . 0.4 OUTLIER 148.48 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.881 0.738 . . . . 0.0 109.702 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 66' ' ' TYR . 10.2 m-85 -117.9 -175.45 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.197 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -85.46 96.77 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 37.93 73.17 0.15 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' GLY . 4.3 mm -37.68 141.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.787 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 47.3 mmtt -82.59 -38.47 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.062 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.567 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 6.4 t 177.67 -175.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.533 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.567 ' N ' ' OG ' ' A' ' 71' ' ' SER . 5.1 t -146.06 141.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.783 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 21.0 t-20 -147.71 161.27 41.53 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.234 0.54 . . . . 0.0 111.594 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.612 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -143.66 145.67 32.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.805 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 43' ' ' LEU . 18.9 m -144.76 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.595 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.0 t30 -119.22 173.81 6.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.614 0.721 . . . . 0.0 111.023 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 72.0 mt-10 -39.23 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.859 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.06 -53.44 33.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.212 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -49.34 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.041 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.04 -37.54 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.88 -24.26 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.039 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.87 -36.0 72.61 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.939 0.4 . . . . 0.0 109.946 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.74 -43.37 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.566 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.24 -18.04 61.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.026 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.33 -18.88 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.256 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' LEU . 34.3 ttpt -62.2 -42.83 99.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.565 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.436 ' O ' ' O ' ' A' ' 86' ' ' LYS . 0.3 OUTLIER -39.55 162.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.949 0.404 . . . . 0.0 111.029 -179.484 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -139.62 -167.31 2.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -66.26 -41.28 90.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.287 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -100.49 147.84 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.396 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -128.32 51.76 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.47 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.508 ' HE ' ' CA ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER 53.25 85.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.446 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -163.68 -129.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.509 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.8 t -107.39 1.63 23.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.575 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 9.6 mp -85.33 14.72 5.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -77.63 98.22 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -133.4 85.96 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -105.64 -35.71 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 76.6 p -169.02 135.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.794 0 CA-C-O 117.982 -1.455 . . . . 0.0 110.866 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' HG3' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.5 mt-10 -82.63 -18.29 41.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.652 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.465 ' CD ' ' N ' ' A' ' 4' ' ' PHE . 13.4 tm0? -50.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' N ' ' CD ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -45.11 -58.26 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.343 0.592 . . . . 0.0 109.464 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.43 ' O ' ' OG ' ' A' ' 9' ' ' SER . 2.1 t30 -58.87 -23.7 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.204 -179.448 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -81.99 -60.34 2.26 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.824 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -56.57 -49.25 75.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 109.914 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 27.4 ttpt -59.71 -52.86 63.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.674 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 58.0 m -53.84 -24.34 15.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.028 -178.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.27 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' HIS . 17.4 mt -65.67 -47.92 73.83 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 11' ' ' LEU . 22.1 mttm -37.61 -54.95 1.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.257 -0.577 . . . . 0.0 109.482 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -55.93 -41.41 74.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.119 0.485 . . . . 0.0 109.874 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.631 ' NE2' ' HE2' ' A' ' 60' ' ' HIS . 16.0 t-80 -69.08 -66.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.187 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.5 m-85 -74.94 19.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' H ' ' C ' ' A' ' 14' ' ' HIS . 5.0 tm-20 -49.19 -46.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -89.77 14.85 10.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -139.42 54.87 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.623 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 13.9 tt -73.36 -63.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.623 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -26.09 -62.5 0.07 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' A' ' 20' ' ' GLY . 56.5 t80 -35.87 -49.74 0.63 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.591 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.8 t-80 -60.48 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.062 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.07 -6.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.921 0.391 . . . . 0.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.514 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -88.86 -77.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.457 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' LYS . 5.9 m-85 -102.41 -75.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.779 -178.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.565 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.7 mp -36.73 -29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.535 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' A' ' 26' ' ' ILE . 1.8 ttmp? 19.16 -125.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 28' ' ' ASP . 48.3 p30 -122.69 80.86 1.79 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.27 -161.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.674 ' ND2' HH22 ' A' ' 31' ' ' ARG . 0.6 OUTLIER -169.84 40.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.083 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.674 HH22 ' ND2' ' A' ' 30' ' ' ASN . 5.5 tpp85 -133.16 100.55 4.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.318 0.58 . . . . 0.0 110.678 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -146.39 151.99 38.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.478 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -134.17 119.04 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.325 0.583 . . . . 0.0 111.849 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.63 126.2 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.556 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -120.03 -58.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.194 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.5 t-20 164.63 -23.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.459 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -94.7 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 36.0 t -151.26 164.68 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 111.527 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 5.2 mp -127.12 125.98 42.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.572 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tt -119.73 148.06 43.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 76.7 mt -140.55 136.87 36.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.7 mm? -60.4 139.98 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' VAL . 27.5 tp -160.45 115.93 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.513 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -87.46 -70.45 0.62 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.688 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.5 m-80 -32.59 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.612 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . 5.0 pt-20 -42.77 -31.86 0.53 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.072 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.562 ' O ' ' N ' ' A' ' 50' ' ' ASN . 81.7 m-85 -66.82 -65.73 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.925 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.9 -31.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.322 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.24 -32.12 43.74 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.562 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -58.52 -55.3 36.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 109.984 -179.816 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -53.2 41.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.705 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.8 mt -48.64 -51.44 28.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.49 -12.81 61.24 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.631 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -72.0 -30.09 64.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.427 ' C ' ' H ' ' A' ' 57' ' ' GLU . 12.3 t-20 -151.32 56.37 0.88 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.695 179.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.553 ' C ' ' H ' ' A' ' 58' ' ' ILE . 12.1 p -73.21 46.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.748 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.622 ' C ' ' H ' ' A' ' 59' ' ' ILE . 0.9 OUTLIER -70.44 18.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.553 ' H ' ' C ' ' A' ' 56' ' ' SER . 29.9 mm -49.55 -4.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.247 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.622 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.5 tt -88.73 -26.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.631 ' HE2' ' NE2' ' A' ' 14' ' ' HIS . 23.0 p-80 -59.3 -10.62 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.509 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -121.77 -48.2 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.515 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 6.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.142 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.509 ' H ' ' C ' ' A' ' 61' ' ' LEU . 10.0 pt-20 -85.19 -4.77 59.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 m -91.3 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.636 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -50.46 -24.49 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -117.53 149.14 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.415 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -45.42 -62.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.26 82.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.5 mm -51.52 153.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.419 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.464 ' O ' ' OG ' ' A' ' 71' ' ' SER . 11.6 tptm -87.84 -36.15 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.464 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 3.5 m 176.58 -174.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.23 144.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.539 ' ND2' ' H ' ' A' ' 74' ' ' PHE . 5.9 t-20 -142.53 160.18 40.78 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.41 0.624 . . . . 0.0 111.748 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.539 ' H ' ' ND2' ' A' ' 73' ' ' ASN . 47.0 m-85 -138.83 134.59 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.298 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' LEU . 11.4 m -148.09 -164.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.317 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -102.87 169.26 8.7 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.215 0.531 . . . . 0.0 111.239 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -38.25 -73.04 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.945 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.408 ' C ' ' NE2' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -47.15 -52.92 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.801 -178.708 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.529 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -49.9 -62.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.282 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -42.01 -42.56 2.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -57.42 -65.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.939 179.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.1 t80 -35.75 -33.41 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' PHE . 17.7 t-20 -73.32 -50.63 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 84' ' ' LEU . 0.9 OUTLIER -81.46 -15.48 54.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.593 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -78.52 -24.05 45.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -70.29 -74.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.3 mp -75.8 152.24 37.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.432 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -145.43 159.33 43.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.536 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 2.9 mp0 -55.25 -33.22 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.489 HD22 ' H ' ' A' ' 92' ' ' ARG . 3.4 p-10 -167.86 -168.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.2 m -142.95 31.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.489 ' H ' HD22 ' A' ' 90' ' ' ASN . 32.8 mtm105 -98.55 83.0 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 94' ' ' THR . 27.5 t0 61.22 144.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.485 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 9.6 t -98.92 10.67 40.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.403 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 5.7 mp 51.12 -136.87 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.39 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -172.04 71.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.757 0.313 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -156.94 140.85 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.43 51.85 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 t -178.89 -76.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 117.945 -1.475 . . . . 0.0 110.917 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 6' ' ' ALA . 16.5 mt-10 -69.73 2.39 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.49 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.4 tm0? -42.11 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.472 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.522 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 12.2 p90 -47.6 -41.02 20.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -58.89 -30.83 68.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.427 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -71.25 -55.09 8.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.032 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.62 -40.35 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.412 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 22.4 ttpp -60.61 -51.1 70.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.786 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -57.51 -25.24 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.342 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.32 -39.47 93.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.94 -44.54 96.55 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.794 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 11' ' ' LEU . 2.1 tttp -36.32 -57.8 0.72 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -50.99 -39.27 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.923 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.579 ' N ' ' O ' ' A' ' 11' ' ' LEU . 3.7 t60 -70.58 -61.79 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.268 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -84.78 26.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' LYS . 11.6 tm-20 -56.07 -32.48 64.16 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.325 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -95.7 5.59 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -131.34 66.8 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.653 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 5.3 tp -77.44 -64.81 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.653 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -28.2 -62.77 0.11 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLY . 52.1 t80 -38.47 -50.13 1.52 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.113 0.482 . . . . 0.0 109.846 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.535 ' C ' ' H ' ' A' ' 24' ' ' LYS . 32.8 t-80 -62.94 -59.33 4.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.981 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -57.13 -5.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.086 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.537 ' NZ ' ' OH ' ' A' ' 25' ' ' TYR . 0.3 OUTLIER -94.45 -53.58 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.529 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 27' ' ' LYS . 50.8 m-85 -129.63 -66.48 0.8 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.13 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 mm -41.12 -16.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.344 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.3 tttm -84.92 -38.03 19.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' TYR . 24.5 t70 -89.19 59.76 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 30' ' ' ASN . 63.6 mt -142.21 160.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.091 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.48 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 43.0 p-10 -167.0 29.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.829 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -138.09 111.99 8.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.261 0.553 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.9 p90 -145.74 160.86 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.395 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.6 m -149.7 125.59 2.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.188 0.518 . . . . 0.0 111.866 -179.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.3 t80 -126.69 54.02 1.63 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.482 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 17.2 tptm -121.56 84.51 2.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.8 p30 160.72 -102.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.075 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -153.85 17.45 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.951 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 24.2 t -149.33 162.7 4.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.18 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.78 119.87 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 179.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.64 146.22 44.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.975 0.417 . . . . 0.0 110.275 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.7 mt -141.31 137.16 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 134.73 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.462 -179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tp -161.81 103.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.181 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.517 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 mp0 -90.38 -42.97 10.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.07 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.533 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -37.7 117.55 0.58 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.992 0.425 . . . . 0.0 110.861 -179.556 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.41 -42.68 99.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.761 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' ASN . 52.8 t80 -67.58 -68.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.302 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.16 -32.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.803 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -81.5 -36.37 29.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.937 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.0 t-20 -53.91 -55.88 22.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.359 0.599 . . . . 0.0 110.727 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.24 -47.61 56.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.281 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.1 mt -48.87 -56.44 8.76 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.973 -178.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -70.76 -12.33 61.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.822 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.01 -29.35 65.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 24.9 p-10 -165.29 82.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.057 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.511 ' C ' ' H ' ' A' ' 58' ' ' ILE . 2.8 p -111.64 59.26 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.436 ' C ' ' H ' ' A' ' 59' ' ' ILE . 7.2 mp0 -72.29 41.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.192 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.511 ' H ' ' C ' ' A' ' 56' ' ' SER . 13.6 mm -63.16 -1.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.0 tt -88.33 -2.75 9.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -20.53 55.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.685 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -119.91 -40.04 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.013 0.435 . . . . 0.0 110.078 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -64.13 -10.47 22.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.556 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.8 17.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.654 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' TYR . 61.7 m -119.16 -69.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -39.85 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.952 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 57.0 m-85 -119.29 -169.45 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.713 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.33 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.297 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.01 84.09 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 6.1 mm -53.29 142.64 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.465 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -86.29 -38.01 17.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.67 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -176.51 179.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.3 t -146.82 145.32 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.851 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -166.94 160.52 14.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.68 0.753 . . . . 0.0 111.878 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.734 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.42 145.27 47.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.112 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 80' ' ' PHE . 21.6 m -148.48 -175.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.083 -179.374 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 159.49 28.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 78' ' ' GLN . 12.2 tm-20 -37.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.569 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.461 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 4.7 mt-30 -47.85 -53.36 15.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.37 -63.55 1.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.6 t80 -42.56 -50.76 5.3 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.753 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -57.63 -62.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' A' ' 81' ' ' PHE . 23.0 t80 -27.91 -40.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 110.673 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -63.73 -41.52 98.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.753 ' N ' ' O ' ' A' ' 81' ' ' PHE . 2.8 mm? -75.33 -11.46 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.047 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.05 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.76 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 87' ' ' LEU . 44.9 tttt -59.03 -22.4 60.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.785 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -29.93 144.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.63 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 60.95 66.84 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.691 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -172.94 52.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.376 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 91' ' ' SER . 53.1 t-20 -156.65 -116.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.484 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.517 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 35.2 t -142.36 33.01 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.608 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.85 -42.61 4.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.264 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -77.88 152.07 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.9 t -111.67 0.09 16.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.639 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.95 138.3 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.616 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -94.0 -156.67 0.51 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -119.97 9.38 11.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -164.57 -58.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.8 m -162.74 143.79 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.755 0 CA-C-O 118.06 -1.411 . . . . 0.0 110.932 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.3 pp20? -78.67 -15.53 58.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.8 tt0 -45.0 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 23.5 m-85 -41.49 -51.5 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 109.852 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.506 HD22 ' C ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -59.21 -29.79 67.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.767 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.525 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -81.43 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.128 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -48.77 80.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.197 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 32.2 ttpt -60.41 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.479 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 49.4 m -52.76 -27.28 17.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.53 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.24 -50.17 75.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 14' ' ' HIS . 9.3 mt -51.26 -45.72 62.15 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LEU . 16.2 tttm -38.41 -56.06 1.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.976 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 t60 -71.41 -63.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.691 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.85 24.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -54.76 -35.5 63.84 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.426 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -88.46 -30.36 19.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 44.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.713 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 6.5 tt -53.82 -85.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.713 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -23.75 -62.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -42.39 -46.51 4.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 19' ' ' ILE . 51.9 t-80 -67.33 -24.56 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.758 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 t70 -90.13 -2.11 58.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -70.55 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.707 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' O ' ' N ' ' A' ' 27' ' ' LYS . 9.4 m-85 -110.77 -69.95 0.84 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.588 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.7 mp -40.77 -15.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.346 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' O ' ' A' ' 25' ' ' TYR . 74.5 tttt -6.34 -63.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ILE . 42.7 t0 -155.25 -30.03 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.233 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.51 ' CG2' ' N ' ' A' ' 30' ' ' ASN . 29.6 mm 53.08 166.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.51 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 89.0 m-20 -146.92 11.93 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.219 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -136.81 95.6 3.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.208 0.528 . . . . 0.0 111.063 179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.04 149.55 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.131 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 m -149.08 134.24 10.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.195 0.522 . . . . 0.0 111.712 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 5.9 p90 -135.5 49.6 2.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 11.8 ptmm? -127.25 43.19 3.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.463 ' C ' ' H ' ' A' ' 38' ' ' VAL . 82.4 m-20 -157.27 40.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.099 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 56.29 8.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.346 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' H ' ' C ' ' A' ' 36' ' ' ASN . 39.4 t -146.05 156.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.4 mp -119.8 115.23 23.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.954 0.407 . . . . 0.0 110.776 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tt -119.67 147.35 44.66 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.569 179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 16.0 mt -143.77 138.1 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.2 mm? -63.3 136.01 57.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.575 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.2 tp -159.2 97.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' GLU . 21.6 pt-20 -90.82 -40.97 11.47 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.481 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -42.84 87.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.983 -179.516 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' GLU . 35.1 tt0 -32.46 -44.57 0.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.012 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.2 m-85 -60.61 -69.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.52 -34.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.382 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.09 -31.76 39.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.984 0.421 . . . . 0.0 110.308 179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 47' ' ' PHE . 19.3 t30 -54.94 -45.73 74.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.928 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -47.23 7.88 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.648 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 36.3 mt -49.1 -53.13 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.471 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -74.19 -10.79 59.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.845 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.6 -30.58 63.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -148.95 61.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.176 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.455 ' C ' ' H ' ' A' ' 58' ' ' ILE . 39.6 t -87.73 45.11 1.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.38 41.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.352 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.556 ' C ' ' H ' ' A' ' 60' ' ' HIS . 22.2 mm -65.04 -22.81 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.4 tt -61.75 -1.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.312 0.577 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.556 ' H ' ' C ' ' A' ' 58' ' ' ILE . 5.3 m170 -79.49 -35.05 40.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.095 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.37 -43.29 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.948 0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -40.24 -32.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.289 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -3.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.283 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.701 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.4 t -102.75 96.78 7.08 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.701 ' HB2' ' O ' ' A' ' 64' ' ' SER . 0.1 OUTLIER 154.45 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.895 0.747 . . . . 0.0 109.069 179.435 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.478 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 10.0 p90 -173.85 78.34 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 4.1 pm0 -36.12 130.1 0.66 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.897 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.59 -9.55 1.65 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.7 mm -50.68 110.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.369 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.442 ' O ' ' OG ' ' A' ' 71' ' ' SER . 19.3 mmtp -81.38 -37.08 28.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 17.3 m -175.62 177.12 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.676 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.65 146.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.685 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 8.1 t-20 -173.0 160.74 4.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.675 0.75 . . . . 0.0 112.222 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.705 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.56 148.32 52.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.202 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' LEU . 18.8 m -144.84 -152.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.117 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.618 ' ND2' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -111.76 162.31 15.38 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 111.025 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.28 -72.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.698 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -48.11 -51.13 25.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.68 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -51.45 -62.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.807 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -42.54 -42.7 3.44 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.4 t80 -56.65 -65.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.726 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -37.85 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.375 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t30 -78.61 -52.98 7.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.011 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.3 pp -77.01 -20.32 56.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.76 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.85 -21.62 62.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -51.08 -67.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.656 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 mt -41.7 122.21 1.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.751 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.45 49.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -145.94 9.86 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.517 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -80.13 62.61 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.408 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.7 m -119.92 135.38 54.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.555 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -66.06 -111.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.92 102.53 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.5 t -102.45 -0.16 32.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.616 ' CD1' ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -99.85 6.74 45.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.47 179.79 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -110.98 -152.78 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.269 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' C ' ' N ' ' A' ' 99' ' ' SER . 13.9 tt0 -163.13 146.33 10.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.537 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -47.94 -17.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.53 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 97' ' ' GLN . 28.2 p -175.28 171.06 2.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.005 -1.441 . . . . 0.0 110.932 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.9 pm0 -88.0 -21.36 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.449 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.9 tp-100 -40.52 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 5' ' ' ASN . 1.8 p90 -45.47 -44.91 12.71 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.556 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 14.6 t30 -60.77 -27.83 68.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 0.0 109.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' N ' HD23 ' A' ' 65' ' ' LEU . 1.8 t80 -54.13 -43.75 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.438 . . . . 0.0 109.864 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 15.1 ttpp -67.58 -43.07 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.397 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 18.0 p -62.75 -20.05 64.57 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.174 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.486 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -75.42 -30.08 59.93 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' A' ' 14' ' ' HIS . 4.7 mt -66.82 -43.93 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLU . 14.4 ttmt -39.62 -52.03 2.24 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -42.57 65.38 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -67.15 -62.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.824 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -89.66 29.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.916 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.0 tt0 -52.0 -59.75 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.034 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -78.05 4.33 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.034 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -132.41 39.84 3.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.335 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' A' ' 22' ' ' HIS . 13.6 tt -75.42 -59.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.56 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -28.98 -62.17 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -44.38 -47.58 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 109.999 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.6 t-80 -66.26 -38.43 87.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.69 -16.54 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.668 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 tptt -100.26 -50.3 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -87.33 -81.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.162 0.506 . . . . 0.0 111.829 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 27' ' ' LYS . 69.5 mt -47.54 -33.4 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.078 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 29' ' ' ILE . 46.5 tttp -37.93 -61.7 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.304 . . . . 0.0 111.283 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 66.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.586 ' N ' ' O ' ' A' ' 27' ' ' LYS . 3.7 tp -167.63 165.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.438 ' C ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -176.82 43.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.49 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.18 109.61 10.56 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -146.03 135.98 23.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.631 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.34 131.54 60.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.367 0.603 . . . . 0.0 112.042 -178.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 66' ' ' TYR . 3.3 t80 -128.16 132.94 48.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.941 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 177.16 -20.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.799 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.661 ' C ' ' H ' ' A' ' 38' ' ' VAL . 7.8 p-10 -119.4 50.29 1.26 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.1 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 36.2 t-20 54.27 -2.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.661 ' H ' ' C ' ' A' ' 36' ' ' ASN . 86.9 t -119.63 153.31 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mp -126.38 125.58 42.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.431 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.85 145.01 44.89 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.656 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.432 HD13 HG22 ' A' ' 41' ' ' ILE . 95.4 mt -139.9 135.63 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -179.604 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.417 ' CD2' ' CD2' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -61.86 135.45 57.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.158 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.8 tp -154.41 105.19 2.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 46' ' ' GLU . 9.6 pt-20 -90.2 -54.15 4.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.261 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.49 ' N ' ' CG ' ' A' ' 44' ' ' GLU . 50.2 m-80 -38.06 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 110.796 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 44' ' ' GLU . 8.7 tp10 -40.71 -41.14 1.46 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' ASN . 79.0 t80 -61.31 -67.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.21 -29.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.459 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -85.29 -33.9 22.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 109.956 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.5 t-20 -52.59 -45.89 66.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.363 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.41 -46.32 8.43 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.981 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 30.5 mt -48.94 -56.26 9.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.249 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' A' ' 49' ' ' ARG . 1.7 p-10 -69.53 -12.81 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.701 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -72.39 -28.27 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -162.17 72.06 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.523 ' C ' ' H ' ' A' ' 58' ' ' ILE . 3.4 p -100.31 55.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -70.6 41.54 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.294 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.523 ' H ' ' C ' ' A' ' 56' ' ' SER . 86.3 mt -68.96 -7.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -77.73 0.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.42 0.629 . . . . 0.0 109.544 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -80.79 -22.72 39.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.926 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.82 -37.37 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.716 0.294 . . . . 0.0 110.511 -179.693 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.556 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.17 -32.49 48.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -69.1 31.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.445 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.556 ' H ' ' C ' ' A' ' 62' ' ' ALA . 23.4 p -123.16 -37.55 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.319 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.404 HD23 ' N ' ' A' ' 7' ' ' PHE . 4.4 tp -90.01 -29.74 18.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 60.2 m-85 -118.98 50.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.042 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' TYR . 4.0 pt-20 -31.39 110.81 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.109 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 122.31 3.24 9.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -46.5 125.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.081 0.467 . . . . 0.0 110.994 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.457 ' O ' ' OG ' ' A' ' 71' ' ' SER . 2.3 tmtt? -86.61 -34.46 19.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.652 179.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 3.3 m 174.04 -171.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.322 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -147.2 144.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.941 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 19.6 t-20 -159.83 156.74 27.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.451 0.643 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.663 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.93 148.27 48.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.497 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.1 m -145.96 -152.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.577 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 26.6 t-20 -112.47 172.27 7.02 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.778 0.799 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.577 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 75.3 mm-40 -38.3 -73.14 0.05 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.81 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -50.6 -51.8 45.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.115 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -51.43 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.156 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CE2' ' CD2' ' A' ' 84' ' ' LEU . 33.0 t80 -43.06 -44.29 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 83' ' ' ASN . 0.3 OUTLIER -56.86 -66.83 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.89 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' PHE . 74.5 t80 -31.8 -35.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . 26.0 t-20 -80.01 -54.01 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.025 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 0.3 OUTLIER -71.94 -16.33 62.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.03 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.475 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.88 -4.06 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.47 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -142.76 80.67 1.7 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.986 0.422 . . . . 0.0 110.425 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.622 ' CD2' ' H ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -80.87 -11.1 59.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.377 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.567 ' C ' ' H ' ' A' ' 90' ' ' ASN . 79.6 mt-10 -42.26 -98.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.859 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 56.96 1.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.626 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.686 ' ND2' ' H ' ' A' ' 91' ' ' SER . 0.4 OUTLIER 41.04 -161.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.599 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.686 ' H ' ' ND2' ' A' ' 90' ' ' ASN . 1.4 t 167.87 -10.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.412 ' H ' ' ND2' ' A' ' 90' ' ' ASN . 3.8 mtp180 173.15 114.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.368 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.516 ' CG ' ' H ' ' A' ' 94' ' ' THR . 26.8 t0 45.15 -140.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.516 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 9.8 t -53.03 -177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.58 ' N ' ' CD2' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -88.45 -167.13 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -97.37 19.62 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -159.77 97.3 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -167.03 167.37 14.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.1 p -162.56 30.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.685 0 CA-C-O 118.032 -1.427 . . . . 0.0 110.896 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 mtt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' ALA . 56.7 mm-40 -86.97 -43.17 12.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.548 ' NE2' ' HH ' ' A' ' 66' ' ' TYR . 12.7 tm0? -44.37 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.477 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 1.5 t80 -43.22 -51.0 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -59.34 -25.3 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -83.6 -62.14 1.66 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.06 -48.38 80.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.05 -19.83 21.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.598 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.15 -37.82 78.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.717 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.6 mt -61.95 -46.99 86.89 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 16' ' ' GLU . 5.8 mmtp -38.15 -56.44 1.18 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -48.85 -42.33 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 109.75 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.3 t60 -69.91 -64.37 0.9 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.299 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -84.94 26.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.718 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.5 tm-20 -52.14 -49.05 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -94.73 -14.59 24.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -105.95 34.08 3.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.597 ' O ' ' N ' ' A' ' 22' ' ' HIS . 14.8 tt -74.98 -55.14 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.486 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -31.22 -43.58 0.1 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 41.8 t80 -58.77 -50.78 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 44.1 t-80 -59.84 -56.25 24.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.465 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.41 -14.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.065 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -68.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.507 ' CD1' ' CE2' ' A' ' 21' ' ' PHE . 61.7 m-85 -68.1 -70.44 0.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 111.359 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' ASP . 25.6 mt -64.29 -61.62 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.699 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 22' ' ' HIS . 41.9 tttm 60.18 -72.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.23 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ILE . 24.8 t0 -155.41 129.03 8.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.501 HG21 ' H ' ' A' ' 31' ' ' ARG . 33.6 mm -108.61 167.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.218 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -139.75 3.79 2.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.501 ' H ' HG21 ' A' ' 29' ' ' ILE . 1.2 mmt180 -134.37 92.32 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -144.6 125.81 14.68 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.48 144.03 33.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.214 0.53 . . . . 0.0 111.964 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 2.9 t80 -121.67 56.59 1.06 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.592 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 41.1 mttm -121.98 111.08 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 9.9 t30 139.66 -56.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' ' O ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER 160.33 -13.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.424 179.005 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.52 HG13 ' H ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -119.05 179.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.283 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.52 ' H ' HG13 ' A' ' 38' ' ' VAL . 4.6 mp -125.08 123.1 39.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.991 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -117.92 143.18 46.57 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mt -147.09 142.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.939 0.399 . . . . 0.0 111.153 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -70.07 140.92 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -163.93 77.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.83 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.55 -44.69 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.823 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -38.76 101.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 13.2 pt-20 -59.39 -28.63 67.08 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.014 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.6 m-85 -74.19 -73.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -41.53 -34.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.479 179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.08 -36.46 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 47' ' ' PHE . 40.9 t30 -54.59 -58.55 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.429 0.633 . . . . 0.0 110.422 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.72 -47.65 62.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.317 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.0 mt -48.74 -52.34 24.22 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.698 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -76.06 -11.72 59.99 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.968 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.63 -25.92 59.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -166.64 60.18 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 57' ' ' GLU . 1.8 t -77.17 -97.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.905 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.6 mt-10 77.17 22.4 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.977 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.6 mm -47.12 -1.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.222 -179.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.714 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.6 tt -86.13 -25.31 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.905 ' ND1' ' O ' ' A' ' 57' ' ' GLU . 40.0 p-80 -56.97 -11.42 1.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.548 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.593 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -124.19 -49.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.867 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 11.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.593 ' H ' ' C ' ' A' ' 61' ' ' LEU . 9.6 pt-20 -90.25 27.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.777 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.5 t -120.54 -64.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -43.96 -29.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' HH ' ' NE2' ' A' ' 3' ' ' GLN . 6.0 m-85 -118.45 154.28 32.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.358 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -47.16 -14.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.491 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . 143.49 90.08 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.8 mm -44.96 154.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.363 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -88.47 -40.07 13.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.119 179.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -179.54 -178.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.566 ' N ' ' OG ' ' A' ' 71' ' ' SER . 22.5 t -148.46 146.49 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.72 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 12.4 t-20 -164.94 155.02 13.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.365 0.602 . . . . 0.0 111.879 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -127.3 150.89 49.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.286 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 m -150.14 -153.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.59 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.8 t-20 -121.86 173.39 7.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.817 0.818 . . . . 0.0 111.527 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.59 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 25.6 mt-10 -37.16 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.338 -178.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -48.26 -50.29 30.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.259 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 82' ' ' PHE . 9.4 t0 -50.27 -65.98 0.47 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.551 . . . . 0.0 109.955 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 1.8 t80 -48.32 -36.19 13.82 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -24.22 66.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.695 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.43 ' N ' ' O ' ' A' ' 79' ' ' ASP . 86.6 t80 -80.04 -28.09 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.137 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.19 24.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -93.34 -71.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -67.64 -34.57 77.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.687 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 85' ' ' ALA . 43.0 tptt -25.12 -43.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -50.57 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.261 179.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' LYS . 55.9 mm-40 -119.26 163.23 17.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.559 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 44.2 mt-10 -100.74 -95.77 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 89' ' ' GLU . 3.5 m-20 167.4 145.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.093 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.1 t -162.89 21.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.75 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 16.5 mtm-85 -77.75 -80.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.634 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 92' ' ' ARG . 26.2 m-20 -165.47 8.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.26 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -51.85 99.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.746 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 mp -77.59 -169.96 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.096 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -58.73 116.18 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.532 ' C ' ' H ' ' A' ' 99' ' ' SER . 15.4 mm100 -130.47 78.48 1.85 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.626 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.3 -44.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.629 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.532 ' H ' ' C ' ' A' ' 97' ' ' GLN . 35.0 t -140.38 -40.8 0.42 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.723 0 CA-C-O 118.016 -1.436 . . . . 0.0 110.972 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.539 ' O ' ' CE2' ' A' ' 4' ' ' PHE . 3.6 tpt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.4 pt-20 -65.25 -10.52 32.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.661 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.5 tt0 -44.83 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.277 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.539 ' CE2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -43.64 -46.63 7.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.55 -32.0 68.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.21 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -70.01 -54.75 11.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.475 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -43.4 80.33 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.225 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -60.38 -55.7 30.38 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 t -55.55 -27.21 47.66 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.429 -0.908 . . . . 0.0 108.596 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.3 85.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.253 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.7 mt -62.33 -44.97 95.26 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.831 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ttpp -36.42 -59.89 0.62 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -48.59 -40.43 27.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.104 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.9 t-80 -68.63 -62.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.501 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.04 25.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.065 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -50.07 -26.11 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.128 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -95.91 -39.7 9.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.11 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.89 35.83 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.666 ' CG2' ' H ' ' A' ' 20' ' ' GLY . 10.1 tt -52.0 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.945 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.666 ' H ' ' CG2' ' A' ' 19' ' ' ILE . . . -30.24 -57.82 0.23 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' GLY . 81.3 t80 -40.88 -49.76 3.21 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.54 ' C ' ' H ' ' A' ' 24' ' ' LYS . 41.5 t-80 -61.9 -57.0 13.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.945 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -57.04 -5.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.067 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.54 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -93.9 -74.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.684 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.3 m-85 -101.94 -62.33 1.27 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.298 -178.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 mm -42.02 -15.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.52 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -82.35 -75.9 0.28 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.668 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -38.65 -66.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.483 ' CG2' ' N ' ' A' ' 30' ' ' ASN . 96.7 mt -43.64 163.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.483 ' N ' ' CG2' ' A' ' 29' ' ' ILE . 64.6 t30 -172.66 47.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.627 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -131.97 112.89 12.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.488 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -151.4 147.77 27.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.791 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -149.84 143.19 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 4.3 p90 -136.15 62.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.742 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 11.6 tptp -121.32 71.71 0.97 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.935 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 3.0 m120 179.47 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.474 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.599 HD22 ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 154.4 -17.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.902 179.706 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.603 ' CG1' ' H ' ' A' ' 39' ' ' LEU . 46.1 t -119.85 176.17 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.603 ' H ' ' CG1' ' A' ' 38' ' ' VAL . 5.2 mp -125.92 123.88 39.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.366 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.68 145.96 45.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.793 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.428 HD11 HG21 ' A' ' 41' ' ' ILE . 96.8 mt -139.24 134.84 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.283 -179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.0 mm? -67.11 132.38 47.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -160.5 98.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.164 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -89.98 -29.53 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -44.29 114.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.15 -33.81 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.028 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 50' ' ' ASN . 7.6 m-85 -75.55 -75.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 110.344 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' PHE . . . -37.24 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.2 ttp85 -85.89 -33.77 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.4 t-20 -55.25 -41.79 72.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.22 0.533 . . . . 0.0 110.884 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.05 -48.92 6.89 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.431 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.404 ' O ' ' OG ' ' A' ' 56' ' ' SER . 19.2 mt -45.92 -56.4 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.2 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -71.96 -9.8 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.216 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -74.97 -31.36 61.44 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -166.82 95.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.564 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 7.6 m -148.99 78.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.374 . . . . 0.0 111.198 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 59' ' ' ILE . 1.6 pm0 -79.41 50.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.022 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 mm -53.69 -2.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.024 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.557 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.4 tt -89.95 1.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.413 0.625 . . . . 0.0 109.655 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -82.78 -23.34 33.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.155 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.612 ' C ' ' H ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -124.65 -38.04 2.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.228 0.537 . . . . 0.0 109.781 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.83 4.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.333 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.612 ' H ' ' C ' ' A' ' 61' ' ' LEU . 2.0 mm-40 -79.53 -94.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.363 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 63' ' ' GLU . 22.1 t -3.08 -66.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.402 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 63' ' ' GLU . 35.3 tp -40.74 -33.33 0.28 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.572 0.225 . . . . 0.0 110.871 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.492 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 4.8 m-85 -117.73 -174.33 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.087 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.86 -27.19 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.15 83.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.6 mm -44.54 148.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.674 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -85.61 -38.26 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.297 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.42 -179.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.0 t -147.69 146.09 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.747 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -167.84 162.6 13.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.332 0.587 . . . . 0.0 111.809 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.53 148.37 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.699 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -168.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.822 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -87.17 160.61 18.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.225 0.536 . . . . 0.0 111.428 -179.403 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' CA ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -38.61 -70.33 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.678 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . 0.417 ' N ' ' CD ' ' A' ' 78' ' ' GLN . 18.8 mp0 -45.94 -54.62 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.681 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.94 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.85 -46.04 3.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.554 ' O ' ' N ' ' A' ' 85' ' ' ALA . 3.5 t80 -54.67 -64.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.918 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' PHE . 50.1 t80 -32.99 -36.04 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 6.9 t30 -74.61 -50.76 16.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.939 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 81' ' ' PHE . 44.1 tp -75.5 -19.03 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.554 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.36 -40.59 15.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 88' ' ' GLU . 54.8 tttm -72.5 -70.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 60.87 -73.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.228 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 86' ' ' LYS . 40.8 mt-10 -133.19 172.44 12.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.33 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 28.6 mm-40 -70.92 -21.49 62.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 89' ' ' GLU . 25.3 m-80 -152.03 -127.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.5 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 92' ' ' ARG . 43.5 p -126.69 -9.42 6.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 91' ' ' SER . 49.0 mtp85 37.65 92.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -125.2 136.5 53.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.41 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.1 t -79.44 127.1 31.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.677 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.499 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 8.7 mp -84.22 -169.82 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.259 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.65 38.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.347 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.497 ' H ' ' C ' ' A' ' 95' ' ' LEU . 57.5 mt-30 -142.55 105.61 4.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 98' ' ' ASN . 8.3 p-10 -175.58 136.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.3 p -156.84 121.98 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.705 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.934 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptt? . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 6' ' ' ALA . 46.1 mt-10 -88.17 -46.3 9.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.458 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 6' ' ' ALA . 62.5 tt0 -39.52 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -44.91 -45.71 10.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -67.95 -21.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.282 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -85.36 -65.62 0.99 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.732 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.26 -39.64 60.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -74.01 -42.61 60.08 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.721 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -61.22 -23.81 65.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.462 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' O ' ' HB2' ' A' ' 13' ' ' LYS . 0.7 OUTLIER -66.93 -46.49 74.63 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.773 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 12' ' ' LYS . 51.1 mt -49.44 -57.54 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 11' ' ' LEU . 31.6 mtpt -31.13 -49.15 0.13 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.946 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 10.5 mmmt -49.65 -48.15 49.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.086 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.485 ' C ' ' H ' ' A' ' 16' ' ' GLU . 13.5 t-80 -91.72 -41.77 10.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.514 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.31 20.62 0.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' A' ' 14' ' ' HIS . 67.7 tt0 -80.45 -46.3 16.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.927 0.394 . . . . 0.0 110.282 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -76.91 -14.06 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.272 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.533 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -96.9 17.42 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.01 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.6 tt -62.03 1.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.533 ' H ' ' C ' ' A' ' 18' ' ' THR . . . -92.04 -66.86 1.12 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 56.6 t80 -48.65 -32.22 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.553 ' O ' ' N ' ' A' ' 27' ' ' LYS . 16.6 t-80 -66.2 -70.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.398 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.455 ' N ' ' HD1' ' A' ' 22' ' ' HIS . 1.6 t70 -40.69 -29.97 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.631 179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -84.69 -75.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.77 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.432 ' CD1' ' CE2' ' A' ' 21' ' ' PHE . 52.6 m-85 -75.68 -72.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.254 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' ASP . 11.7 mm -53.42 -55.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.625 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.553 ' N ' ' O ' ' A' ' 22' ' ' HIS . 58.9 tttm 46.83 -91.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.348 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -89.79 -91.11 0.14 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.082 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.629 ' O ' ' O ' ' A' ' 28' ' ' ASP . 38.7 mm 43.61 116.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.001 0.429 . . . . 0.0 111.099 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -140.53 36.8 1.84 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.37 113.97 20.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.185 0.517 . . . . 0.0 110.206 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 16.5 p90 -161.35 153.2 19.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.04 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.1 m -153.21 152.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.116 0.484 . . . . 0.0 111.481 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 10.9 t80 -131.21 51.2 2.16 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.742 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -119.65 55.21 0.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -173.05 38.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 53.85 11.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.378 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.433 ' H ' ' C ' ' A' ' 36' ' ' ASN . 43.9 t -149.79 164.51 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.233 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.405 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 5.1 mp -117.64 120.0 36.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.084 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' CG2' ' A' ' 75' ' ' VAL . 2.2 mt -119.69 140.13 51.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.033 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.1 mt -133.75 132.07 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.7 mm? -57.8 126.22 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.741 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -161.91 87.94 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.538 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 5.8 mp0 -78.44 -26.05 46.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -48.1 122.45 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.4 tp10 -71.08 -52.61 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.502 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.15 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.986 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -47.9 -60.93 2.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -49.98 -43.62 50.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -47.84 -56.85 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.668 0.746 . . . . 0.0 110.786 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -39.71 68.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.677 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.73 -48.0 82.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.158 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -74.58 -19.42 60.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.92 -25.68 65.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.624 0.726 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -169.47 107.97 0.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.72 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -154.45 82.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.651 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 60' ' ' HIS . 50.3 mm-40 -91.08 50.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.651 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 60' ' ' HIS . 3.8 mm -62.18 -15.11 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.296 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.478 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.1 tt -73.68 3.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.384 0.612 . . . . 0.0 109.356 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.444 ' H ' ' C ' ' A' ' 58' ' ' ILE . 0.4 OUTLIER -79.42 -45.39 19.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.48 179.266 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.643 ' H ' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -97.16 -36.57 10.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.774 -179.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.536 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.67 -35.91 75.39 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.781 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' A' ' 59' ' ' ILE . 11.9 pt-20 -66.31 34.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.536 ' H ' ' C ' ' A' ' 62' ' ' ALA . 22.8 t -122.28 -27.72 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.75 -32.53 17.87 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.613 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . 0.539 ' C ' ' H ' ' A' ' 68' ' ' GLY . 37.4 p90 -166.96 107.17 0.62 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.583 ' C ' ' H ' ' A' ' 69' ' ' ILE . 84.2 mt-10 -46.83 -11.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.085 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.539 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -52.19 -4.3 0.12 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.583 ' H ' ' C ' ' A' ' 67' ' ' GLU . 4.8 mm -76.07 103.0 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 111.138 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -83.41 -32.6 26.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.052 0.453 . . . . 0.0 109.806 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.9 t 177.34 -173.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.922 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.538 ' N ' ' OG ' ' A' ' 71' ' ' SER . 15.4 t -147.43 146.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.367 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -166.65 156.37 11.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.585 0.707 . . . . 0.0 111.802 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -123.44 141.61 51.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.381 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.433 ' CG2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -154.32 -174.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.43 . . . . 0.0 110.771 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.89 157.16 27.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.04 -31.18 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.659 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.3 -52.88 16.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.061 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -62.73 -49.41 75.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.549 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -52.47 -36.96 55.99 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' A' ' 85' ' ' ALA . 27.3 t80 -62.84 -49.12 76.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.26 -28.43 53.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.471 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -78.19 -47.62 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.742 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 84' ' ' LEU . 2.2 tp -83.56 -5.09 59.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -106.14 13.8 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.932 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -118.21 -8.44 10.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.832 0.348 . . . . 0.0 110.506 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.405 ' CD1' ' O ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.06 91.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.942 -179.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 86' ' ' LYS . 24.7 mt-10 42.3 -149.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.805 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -140.61 5.69 2.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -73.91 131.97 42.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.474 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -161.15 41.26 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.737 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -76.57 149.49 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.231 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.57 ' O ' ' C ' ' A' ' 94' ' ' THR . 15.0 m-20 -149.63 14.69 0.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.57 ' C ' ' O ' ' A' ' 93' ' ' ASP . 7.5 t 1.88 112.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.069 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.463 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 9.8 mp -53.74 -166.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.424 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.535 ' CE2' ' O ' ' A' ' 97' ' ' GLN . 72.2 t80 -39.34 145.74 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.69 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 10.4 pm0 -144.55 -143.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -151.05 127.92 10.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 110.622 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.5 t -161.89 -13.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 118.064 -1.409 . . . . 0.0 110.962 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 1.9 ttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 pt-20 -75.49 -19.31 59.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 6' ' ' ALA . 15.0 tt0 -36.93 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.211 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -51.66 -36.57 46.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.396 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -59.84 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -68.71 -55.81 10.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.151 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.505 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 0.9 OUTLIER -59.85 -36.83 77.67 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.069 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -55.32 -57.45 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.986 179.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -49.5 -40.51 37.84 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 mt -53.39 -33.25 53.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.351 -0.539 . . . . 0.0 109.75 179.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 11.7 mt -75.95 -28.64 58.0 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.598 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -54.8 -63.7 1.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.189 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -53.24 -39.26 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.423 ' C ' ' H ' ' A' ' 16' ' ' GLU . 17.7 t60 -65.32 -68.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.185 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.508 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.8 m-85 -73.33 19.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.493 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 14' ' ' HIS . 31.4 tt0 -64.01 2.12 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.516 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' H ' ' C ' ' A' ' 15' ' ' TYR . 22.8 mtmm -130.23 11.53 5.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.642 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.04 44.36 2.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.68 ' H ' ' CD1' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -58.23 -75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.172 -179.546 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -23.0 -64.9 0.03 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -40.75 -46.54 2.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.858 0.361 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 19' ' ' ILE . 36.9 t-80 -58.2 -60.19 4.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.219 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.94 -5.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.467 ' H ' ' C ' ' A' ' 22' ' ' HIS . 4.3 tptp -84.7 -71.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.671 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.485 ' CD2' ' CG ' ' A' ' 45' ' ' ASN . 24.5 m-85 -107.52 -67.81 0.93 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . 73.8 mt -41.21 -43.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 35.83 -94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.63 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ILE . 22.2 p-10 -147.53 120.69 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.516 HG23 ' H ' ' A' ' 30' ' ' ASN . 3.4 mt -130.84 168.45 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.913 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.516 ' H ' HG23 ' A' ' 29' ' ' ILE . 14.6 m120 -153.63 39.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.617 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -135.68 109.87 8.34 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -147.17 167.72 23.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.152 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.6 m -141.37 116.02 5.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 111.377 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -127.24 131.48 50.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.387 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 33.8 mtmm -129.9 -52.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.291 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER 163.37 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 52.5 t30 -80.26 -49.87 11.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.415 -179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.487 ' CG1' ' N ' ' A' ' 39' ' ' LEU . 56.4 t -152.35 166.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.572 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.487 ' N ' ' CG1' ' A' ' 38' ' ' VAL . 2.1 mp -125.02 126.28 45.17 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.295 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.39 147.24 43.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.6 mt -140.86 139.46 34.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.157 0.503 . . . . 0.0 111.864 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 4.1 mm? -58.95 129.18 40.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' VAL . 18.3 tp -160.15 114.2 2.21 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.77 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -88.6 -69.92 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 25' ' ' TYR . 11.4 m-80 -30.89 89.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 21.7 tt0 -38.01 -38.82 0.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' ASN . 41.1 m-85 -63.46 -66.83 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -36.41 -31.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.543 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 2.2 mtm180 -82.65 -31.94 28.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.485 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -70.77 -22.07 62.43 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.256 -179.484 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.547 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -90.74 -60.01 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.155 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.408 ' O ' ' CB ' ' A' ' 56' ' ' SER . 56.6 mt -50.28 -35.64 28.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.839 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -95.53 -15.33 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 23.6 t0 -91.52 -26.73 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -157.24 95.97 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.408 ' CB ' ' O ' ' A' ' 52' ' ' LEU . 5.7 t -161.88 -60.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.537 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mt-10 69.89 52.18 0.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.636 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 27.5 mm -61.4 -0.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.177 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.537 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.0 tt -88.04 -7.36 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.475 ' HD1' ' CB ' ' A' ' 57' ' ' GLU . 1.5 m80 -76.56 -23.73 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.813 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.556 ' H ' ' CD1' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.16 -41.09 4.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.55 -20.16 30.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.929 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -5.09 30.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 -178.793 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.4 m -99.43 -34.95 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.282 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -89.49 -34.03 16.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.092 0.472 . . . . 0.0 109.807 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -119.2 109.5 15.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -83.83 121.55 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 15.71 18.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.59 122.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -85.88 -34.02 21.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.938 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.604 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.5 t 174.1 -170.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.216 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.604 ' N ' ' OG ' ' A' ' 71' ' ' SER . 25.6 t -143.45 140.56 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.96 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -141.43 157.87 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.57 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.694 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -147.94 139.45 23.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.922 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' LEU . 21.7 m -149.6 -169.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.564 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.641 HD22 ' H ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -78.68 160.22 27.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.837 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -52.04 -30.59 26.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.108 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.52 -56.7 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.491 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . 0.641 ' H ' HD22 ' A' ' 76' ' ' ASN . 52.7 t0 -55.15 -50.36 69.49 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.947 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.5 t80 -52.66 -43.14 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.949 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.49 -13.29 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -74.05 -39.19 63.67 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.94 -33.25 71.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.974 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.71 -17.49 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.752 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.19 -30.29 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.667 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' LEU . 14.7 ttmt -43.53 -53.3 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' H ' ' CD1' ' A' ' 87' ' ' LEU . 10.7 mp -36.56 104.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.53 162.57 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.632 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.26 19.08 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.553 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.515 HD22 ' H ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -62.77 -128.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.562 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.716 ' HG ' ' H ' ' A' ' 92' ' ' ARG . 4.7 t -155.86 -151.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.716 ' H ' ' HG ' ' A' ' 91' ' ' SER . 2.2 mmp_? -77.0 68.89 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.511 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -157.88 -6.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.94 132.42 46.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.662 ' H ' ' CD2' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -65.87 85.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.384 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 53.0 t80 -136.88 3.45 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.532 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -160.35 88.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 99' ' ' SER . 14.3 t-20 -150.68 176.59 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.5 ' N ' ' OD1' ' A' ' 98' ' ' ASN . 20.3 p -160.99 170.4 20.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.581 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 117.933 -1.482 . . . . 0.0 110.918 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.532 ' SD ' ' N ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.532 ' N ' ' SD ' ' A' ' 1' ' ' MET . 24.4 pt-20 -80.63 -15.16 57.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' ALA . 40.7 tt0 -45.89 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -41.98 -52.09 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.235 0.541 . . . . 0.0 109.724 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.422 ' O ' ' OG ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -57.67 -28.82 64.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.539 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.519 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -80.34 -58.01 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.106 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.8 -47.77 84.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.85 -48.45 78.98 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.11 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 57.2 m -54.5 -29.84 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.911 -179.112 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.432 ' C ' ' CD2' ' A' ' 10' ' ' LEU . 0.4 OUTLIER -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.497 ' O ' ' N ' ' A' ' 14' ' ' HIS . 2.7 mt -61.7 -46.59 89.03 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLU . 32.8 ttpt -40.26 -57.18 1.79 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.504 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.73 -42.77 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 0.0 109.788 178.371 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.04 -58.83 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.275 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -95.38 34.02 1.5 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.4 tt0 -63.92 -57.64 9.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.632 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -83.31 9.54 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.0 m -96.77 52.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -59.91 -83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -19.02 -45.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.397 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.2 t80 -68.66 -42.0 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.366 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.758 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.7 t-80 -70.07 -16.57 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.55 -11.71 31.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.977 0.418 . . . . 0.0 110.122 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -86.59 -69.85 0.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.245 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.608 ' O ' ' N ' ' A' ' 27' ' ' LYS . 13.3 m-85 -119.81 -63.46 1.37 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mp -40.41 -15.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -178.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 25' ' ' TYR . 59.5 tttp -11.31 -61.17 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.786 0.327 . . . . 0.0 111.758 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ILE . 16.8 t70 -168.85 96.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.447 HG23 ' H ' ' A' ' 30' ' ' ASN . 1.1 mt -77.89 171.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.447 ' H ' HG23 ' A' ' 29' ' ' ILE . 34.9 m120 -145.49 6.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.212 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -131.46 98.83 4.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 111.231 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -151.67 129.27 11.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -142.59 155.16 18.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.675 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.684 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.13 122.78 40.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.998 179.004 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -119.07 -70.23 0.8 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.44 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASN . . . . . 0.459 ' C ' ' H ' ' A' ' 38' ' ' VAL . 9.3 t-20 -119.72 82.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.752 0.31 . . . . 0.0 110.936 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.6 m120 49.4 13.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' H ' ' C ' ' A' ' 36' ' ' ASN . 78.5 t -119.65 143.13 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.2 mp -121.19 120.75 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.314 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.35 143.54 46.55 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.3 mt -140.81 135.44 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.056 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.9 mm? -60.87 137.61 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.8 tp -163.34 97.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 179.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.46 -33.73 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.597 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -43.2 124.07 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.55 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' ASN . 47.3 m-85 -66.28 -67.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.498 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.0 -39.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -76.65 -36.86 57.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' PHE . 48.9 t-20 -50.1 -48.25 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.393 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -41.91 11.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.887 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.7 mt -51.2 -60.81 2.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.701 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -66.46 -13.77 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.788 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -71.12 -27.92 63.93 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -167.0 98.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.476 ' C ' ' H ' ' A' ' 58' ' ' ILE . 24.8 p -132.73 67.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.433 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.563 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 14.4 mt-10 -71.26 41.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.772 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.476 ' H ' ' C ' ' A' ' 56' ' ' SER . 78.2 mt -64.18 -5.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.063 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 63' ' ' GLU . 4.6 tt -90.75 -8.66 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.337 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.563 ' ND1' ' O ' ' A' ' 57' ' ' GLU . 1.8 p-80 -85.61 -2.67 58.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.75 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HG ' ' CD2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -132.28 -45.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.844 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.627 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.87 -23.12 63.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.001 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' ILE . 9.1 pt-20 -63.58 33.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.63 -178.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.627 ' H ' ' C ' ' A' ' 62' ' ' ALA . 89.3 p -126.17 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.642 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -43.27 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -119.36 165.19 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.68 -22.66 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.39 91.6 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.5 mm -49.86 144.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.425 179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -81.07 -40.19 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.41 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -175.61 178.16 1.63 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -148.87 148.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.537 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -172.29 160.64 5.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.61 0.719 . . . . 0.0 112.187 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -128.22 146.86 50.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.026 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.449 ' O ' ' N ' ' A' ' 43' ' ' LEU . 17.0 m -146.34 -157.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.275 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -105.51 161.79 14.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.009 -179.549 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 14.0 mm-40 -35.52 -70.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.625 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -49.58 -49.97 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 111.059 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -63.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.57 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.411 ' CZ ' ' CD2' ' A' ' 84' ' ' LEU . 5.9 t80 -45.45 -44.46 12.28 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.172 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.516 ' O ' ' N ' ' A' ' 83' ' ' ASN . 53.2 t80 -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.953 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' PHE . 20.2 t80 -36.08 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.867 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.5 t-20 -75.67 -51.62 12.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.798 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.424 ' C ' ' H ' ' A' ' 86' ' ' LYS . 2.0 pp -83.75 -18.76 36.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.39 -3.18 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.523 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . 0.658 ' C ' ' H ' ' A' ' 88' ' ' GLU . 2.7 tppp? -94.32 -86.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 88' ' ' GLU . 5.7 mp 62.23 -31.44 0.09 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.658 ' H ' ' C ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER 82.97 -73.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.923 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' SER . 4.2 tp10 -96.11 16.39 18.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.902 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 42.07 20.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.613 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 89' ' ' GLU . 46.8 t -152.01 -141.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.619 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.475 ' N ' ' OG ' ' A' ' 91' ' ' SER . 16.0 mtt-85 -86.07 115.0 23.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.1 105.54 15.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -106.2 67.17 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.611 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.462 ' CD1' ' H ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -87.34 149.75 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.292 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -46.35 172.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.517 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -135.92 159.16 42.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . 0.502 ' N ' HD22 ' A' ' 98' ' ' ASN . 1.2 m120 -74.15 -169.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.6 t -159.95 -12.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.781 0 CA-C-O 118.086 -1.397 . . . . 0.0 110.926 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.809 0.338 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 tt0 -44.37 -72.6 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -48.68 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.456 ' O ' ' OG ' ' A' ' 9' ' ' SER . 48.7 t-20 -59.52 -30.01 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.584 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.7 -58.55 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -63.41 -47.22 82.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.714 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.62 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 26.3 ttpt -62.71 -51.69 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.54 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 62.8 m -56.79 -27.38 59.67 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.286 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -59.92 -43.79 94.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.1 mt -57.29 -47.28 81.88 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 32.2 ttpt -35.99 -62.15 0.45 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.879 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -40.53 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.131 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.3 t-80 -69.13 -57.64 5.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.3 m-85 -92.72 31.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.687 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LYS . 15.8 pt-20 -72.4 21.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.76 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 15' ' ' TYR . 42.0 mtmt -150.23 -25.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.407 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.09 35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.317 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.011 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.0 tt -44.63 -74.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.115 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 1.011 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.69 -49.35 0.05 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.871 -0.491 . . . . 0.0 111.871 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -53.71 -52.46 60.01 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.585 ' N ' ' O ' ' A' ' 19' ' ' ILE . 54.9 t-80 -55.78 -58.69 6.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.208 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.95 -7.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 21.2 tttp -88.34 -77.1 0.37 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.705 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' O ' ' N ' ' A' ' 27' ' ' LYS . 29.9 m-85 -111.49 -70.05 0.83 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.589 ' O ' ' C ' ' A' ' 27' ' ' LYS . 6.7 mm -36.48 -25.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.043 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.0 ttmt 7.43 -102.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.699 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -140.73 81.23 1.79 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.764 0.316 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -76.58 -162.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.89 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.524 ' H ' HG22 ' A' ' 29' ' ' ILE . 59.0 t30 -171.2 22.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.575 ' CB ' HD23 ' A' ' 42' ' ' LEU . 21.0 mmt180 -129.95 96.92 4.33 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.298 0.571 . . . . 0.0 110.675 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -155.4 141.0 17.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.89 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.23 153.77 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.509 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' A' ' 35' ' ' LYS . 3.8 t80 -129.08 131.24 47.26 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.509 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 1.4 mtpp 173.6 45.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 38' ' ' VAL . 6.6 p30 179.11 41.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.268 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 58.56 -6.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.654 ' H ' ' C ' ' A' ' 36' ' ' ASN . 85.5 t -119.71 161.03 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 38' ' ' VAL . 8.0 mp -130.04 132.21 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.625 HD21 HG22 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -118.75 142.97 47.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 40' ' ' LEU . 4.7 mp -140.98 138.53 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.48 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.575 HD23 ' CB ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -57.08 136.55 56.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.063 -179.286 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.9 tp -173.45 94.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.127 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.75 -40.49 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 64.5 m-80 -41.05 116.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -60.81 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 50' ' ' ASN . 39.0 m-85 -62.46 -67.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.518 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -37.77 -39.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -75.87 -34.91 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 47' ' ' PHE . 46.8 t30 -56.5 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.707 0.765 . . . . 0.0 110.146 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -50.32 73.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.835 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 52' ' ' LEU . 31.7 mt -50.38 -51.26 47.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 3.9 p30 -77.37 -15.64 59.28 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.682 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 73.0 m-20 -74.06 -25.79 60.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.27 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 179.0 92.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.369 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -129.67 -71.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.515 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.531 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 3.1 mt-10 72.28 50.07 0.21 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 58' ' ' ILE . 38.8 mm -57.58 0.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.862 0.363 . . . . 0.0 110.453 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' A' ' 57' ' ' GLU . 2.8 tt -86.42 -28.28 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' OE1' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -51.53 -17.4 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.51 178.782 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.918 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.96 -42.39 2.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.467 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.21 1.55 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.15 18.8 5.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.576 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -114.96 -31.44 6.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' A' ' 3' ' ' GLN . 39.7 tp -79.28 -26.33 42.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 15.6 m-85 -119.07 168.46 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.458 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.0 mp0 -49.43 -49.41 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.53 89.15 0.07 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.422 HD12 HD13 ' A' ' 39' ' ' LEU . 4.6 mm -48.52 150.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.736 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -92.97 -35.23 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p 177.82 -176.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.447 . . . . 0.0 110.844 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -150.78 150.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.837 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -157.5 151.18 24.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.257 0.551 . . . . 0.0 111.714 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -126.77 147.67 49.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.471 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.625 HG22 HD21 ' A' ' 40' ' ' LEU . 9.6 m -146.64 -161.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -97.42 159.6 14.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.568 ' HA ' HD11 ' A' ' 42' ' ' LEU . 25.0 tt0 -48.29 -36.64 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.312 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.39 -53.23 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.327 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.37 -50.84 72.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.48 . . . . 0.0 110.253 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CD2' HD21 ' A' ' 42' ' ' LEU . 7.2 t80 -50.69 -41.26 55.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.03 -35.59 77.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.071 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.66 -27.67 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CG ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -67.95 -43.43 79.08 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.565 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -84.33 -16.7 42.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.861 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.38 -23.59 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.722 0.296 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -36.97 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.587 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 74.8 t80 -63.98 -47.5 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.52 -37.01 74.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.712 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -39.91 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -34.49 78.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -64.07 -49.02 73.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.326 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t -59.81 -24.9 64.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -65.54 -39.47 91.79 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.749 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.5 mt -59.17 -42.04 89.84 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLU . 18.5 ttpp -37.2 -56.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.92 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.38 -41.49 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -67.3 -63.21 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.73 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.35 26.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.3 tm-20 -50.35 -55.75 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.174 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -78.95 2.1 21.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.281 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 18' ' ' THR . 42.7 m -123.26 55.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.505 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.789 HG23 ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -80.1 -62.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.325 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.789 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.07 -62.27 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -43.15 -50.49 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' O ' ' A' ' 27' ' ' LYS . 58.4 t-80 -60.77 -49.03 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.243 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.81 -2.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.751 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' HIS . 17.0 tptt -96.11 -74.59 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.577 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 27' ' ' LYS . 32.9 m-85 -101.76 -75.8 0.59 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.876 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 27' ' ' LYS . 87.0 mt -38.03 -24.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.974 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 26' ' ' ILE . 71.4 mttt 9.39 -109.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.326 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 29' ' ' ILE . 24.3 t0 -151.44 66.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.079 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.7 mt -59.39 -138.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.54 ' H ' HG22 ' A' ' 29' ' ' ILE . 4.5 p30 -174.99 33.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.39 93.78 2.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.399 0.618 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 4' ' ' PHE . 32.3 p90 -148.83 134.84 19.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.017 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 33' ' ' VAL . 13.6 m -127.41 128.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 111.472 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 9.1 p90 -129.9 53.19 1.94 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.109 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 16.8 ttmt -119.04 45.11 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 38' ' ' VAL . 57.3 m-80 -159.73 24.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' GLY . 4.2 t-20 75.74 -12.45 0.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.316 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.694 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.6 t -119.64 168.82 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.016 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.694 HD12 ' C ' ' A' ' 38' ' ' VAL . 5.9 mp -129.54 124.18 33.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.916 0.389 . . . . 0.0 111.135 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 148.13 43.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -142.47 138.21 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.8 mm? -63.15 133.26 54.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.23 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.7 tp -153.5 109.54 3.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.355 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 98.3 mt-10 -90.52 -57.61 2.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.518 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 14.3 m-80 -37.08 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.004 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.6 tt0 -40.84 -26.98 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 50' ' ' ASN . 23.0 t80 -70.5 -71.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 0.0 110.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.89 -30.83 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.387 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -81.72 -31.82 31.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.144 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t30 -56.25 -44.9 80.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.2 -50.05 6.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.607 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -47.72 -53.64 14.54 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.256 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -72.05 -10.76 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.799 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -73.93 -30.48 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -158.93 80.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.981 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 58' ' ' ILE . 7.6 t -107.69 58.17 0.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 9.9 mp0 -72.99 31.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.676 ' O ' HD12 ' A' ' 61' ' ' LEU . 86.0 mt -56.65 -19.56 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -67.13 -0.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.482 0.658 . . . . 0.0 109.333 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.468 ' H ' ' C ' ' A' ' 58' ' ' ILE . 18.9 m170 -76.06 -25.05 55.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.248 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.849 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.61 -40.11 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -48.83 -30.61 5.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.1 33.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.38 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 62' ' ' ALA . 11.4 m -130.17 -45.93 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.493 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -60.27 -23.84 64.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 27.0 p90 177.97 111.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.926 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.69 164.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.698 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.419 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 110.6 -0.36 29.16 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.8 mm -65.91 127.65 27.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.394 . . . . 0.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -99.92 -30.76 11.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.0 t 173.65 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.208 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.606 ' N ' ' OG ' ' A' ' 71' ' ' SER . 20.0 t -147.32 145.66 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -163.61 157.78 19.82 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.723 0.773 . . . . 0.0 112.058 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.736 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.42 143.83 35.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.807 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 43' ' ' LEU . 31.1 m -148.12 -161.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.104 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.73 161.89 13.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.979 0.419 . . . . 0.0 111.018 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -36.88 -70.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.573 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -48.94 -52.99 21.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.628 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.19 -65.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 4.4 t80 -42.19 -47.97 4.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.5 t80 -56.42 -66.56 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.214 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' C ' ' O ' ' A' ' 81' ' ' PHE . 49.0 t80 -29.28 -40.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.4 m-80 -74.03 -49.64 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.076 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 81' ' ' PHE . 41.5 tp -74.78 -18.38 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -74.58 -19.18 60.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 -179.852 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 6' ' ' ALA . 84.5 mt-10 . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.719 0.295 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.8 tp60 -41.67 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -44.0 -48.07 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 51.0 t30 -63.51 -23.15 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -82.57 -63.72 1.32 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -55.44 -41.79 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.759 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.6 -44.27 82.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.981 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 10.8 p -60.23 -21.37 61.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.505 -179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -67.98 -40.7 83.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.71 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.7 mt -57.74 -46.24 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLU . 61.7 tttm -37.31 -54.89 1.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 4.4 mmtm -51.77 -43.54 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.109 0.48 . . . . 0.0 109.9 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.6 t60 -68.79 -61.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -85.87 29.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.67 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.581 ' OE2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -55.34 -23.35 23.38 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.96 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 39.1 mtmt -98.86 -42.97 6.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 110.367 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -83.04 46.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.796 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.806 HG23 ' H ' ' A' ' 20' ' ' GLY . 2.2 tt -60.62 -63.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.326 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.806 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.34 -61.55 0.12 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -45.15 -47.6 12.27 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.589 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.3 t-80 -66.36 -22.13 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 20' ' ' GLY . 12.0 t70 -83.41 -7.04 59.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -91.81 -68.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.579 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.6 m-85 -110.35 -66.28 1.08 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.761 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.3 mm -42.03 -17.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.714 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' TYR . 84.5 tttt -15.66 -97.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.661 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 32.3 p-10 -148.35 52.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 28' ' ' ASP . 1.6 mt -41.38 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -125.4 22.07 7.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.441 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -136.1 88.14 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.378 0.609 . . . . 0.0 110.742 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -148.79 127.57 12.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.071 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.8 m -119.64 127.16 75.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.28 0.562 . . . . 0.0 111.977 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -123.67 130.02 52.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.122 179.259 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 40.0 mtmt -120.96 -57.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.365 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.0 t30 160.7 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.44 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 38' ' ' VAL . 26.6 m-20 -87.81 -45.67 10.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.735 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 39' ' ' LEU . 48.3 t -154.66 166.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.16 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.655 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.7 mp -125.16 123.73 40.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.529 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -118.23 143.81 46.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.134 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 40' ' ' LEU . 4.2 mp -140.03 135.09 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.657 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.1 mm? -64.28 132.6 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.251 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.0 tp -162.18 93.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.321 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -86.44 -23.49 26.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.258 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.427 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 52.1 m-80 -48.21 115.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.69 -33.25 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 50' ' ' ASN . 95.0 m-85 -73.98 -72.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.758 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.63 -33.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -79.39 -36.03 39.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.562 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.5 t-20 -54.58 -44.7 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.309 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -46.48 9.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.435 -178.323 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' OG ' ' A' ' 56' ' ' SER . 25.9 mt -47.69 -54.19 12.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.307 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -73.45 -10.19 59.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.245 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.66 -30.79 56.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.305 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -165.54 60.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -83.63 -93.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mm-40 70.49 46.02 0.58 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 58' ' ' ILE . 17.5 mm -64.4 3.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.845 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' H ' ' C ' ' A' ' 57' ' ' GLU . 9.0 tt -86.25 -34.79 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -46.33 -12.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.701 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.861 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -131.22 -48.62 1.0 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.18 -20.13 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.547 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.13 2.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.349 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' TYR . 69.8 m -96.31 -69.53 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.16 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 7' ' ' PHE . 36.2 tp -38.54 -23.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.923 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.9 m-85 -118.57 -174.9 2.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.276 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.67 -40.59 72.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.75 78.25 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 71' ' ' SER . 3.9 mm -41.81 142.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -79.6 -38.5 33.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 69' ' ' ILE . 6.3 p -179.09 -178.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 t -149.18 147.91 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.814 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -164.51 145.93 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.587 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 5.2 m-85 -116.92 141.91 47.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.506 -1.224 . . . . 0.0 108.87 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LEU . 6.6 m -142.92 -166.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.02 157.58 16.24 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.236 0.541 . . . . 0.0 111.521 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -38.0 -46.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.287 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -70.05 -47.26 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.007 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -52.11 -63.69 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.922 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.412 ' CG ' HD21 ' A' ' 42' ' ' LEU . 1.7 t80 -48.08 -37.84 16.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -63.81 -32.95 74.63 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.02 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 65.1 t80 -61.26 -30.77 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -91.72 18.36 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.377 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.1 tp -92.81 -18.13 23.26 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.67 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.47 -26.1 12.53 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.734 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.506 ' NZ ' ' CE2' ' A' ' 82' ' ' PHE . 40.8 mmtm . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 121.036 0.446 . . . . 0.0 110.077 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.7 mt-10 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.781 0.324 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 5.8 tt0 -42.31 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CD2' ' CE2' ' A' ' 32' ' ' PHE . 5.0 t80 -44.58 -45.85 9.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.698 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.97 -28.15 67.42 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.114 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.76 -60.86 2.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.56 -44.69 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 24.2 ttpp -60.51 -50.09 74.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.486 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -57.58 -21.48 39.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.075 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -66.39 -37.87 86.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.461 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.95 -45.24 94.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.635 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' GLU . 65.3 mttm -39.08 -53.04 1.84 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.6 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.7 t-160 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.678 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -88.29 28.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.599 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.6 tt0 -48.83 -59.44 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -80.77 8.08 8.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.269 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -126.44 53.72 1.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.767 HG23 ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -84.23 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.893 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.767 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.32 -63.89 0.13 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 50.8 t80 -40.5 -49.66 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.0 t-80 -63.06 -61.82 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.396 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.26 -13.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.004 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -101.85 -60.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.605 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 61.8 m-85 -75.71 -71.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.549 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -64.94 -65.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' HIS . 6.8 ttmm 67.16 -71.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -172.72 101.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.2 mm -83.11 -150.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.621 ' H ' HG22 ' A' ' 29' ' ' ILE . 57.5 t30 -170.07 20.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.251 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' CB ' HD23 ' A' ' 42' ' ' LEU . 20.2 mmm180 -143.0 99.45 3.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.033 0.444 . . . . 0.0 110.618 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' CD2' ' A' ' 4' ' ' PHE . 29.7 p90 -148.51 117.72 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.84 145.59 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.203 0.525 . . . . 0.0 112.075 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.72 61.18 1.68 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.729 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -127.13 41.15 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -158.35 35.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.37 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 57.53 17.39 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.397 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 39' ' ' LEU . 44.9 t -150.25 163.39 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.564 ' N ' HG12 ' A' ' 38' ' ' VAL . 4.9 mp -119.85 116.94 26.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 0.0 110.283 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 41' ' ' ILE . 3.2 tt -118.02 145.04 45.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.734 ' N ' HD23 ' A' ' 40' ' ' LEU . 44.2 mt -143.17 138.47 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 80' ' ' PHE . 3.1 mm? -64.27 139.25 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.021 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 tp -156.8 103.64 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -87.25 -34.04 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -45.61 113.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.92 -50.3 64.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.08 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 34.6 m-85 -57.78 -63.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 109.988 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ARG . . . -40.26 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 27.9 ttt-85 -36.34 -37.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.006 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 4.2 t-20 -54.66 -57.43 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.428 0.633 . . . . 0.0 110.546 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -48.75 22.12 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.098 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -46.29 -57.19 4.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -70.46 -10.59 59.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.919 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.77 -27.75 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -156.59 71.56 0.7 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.147 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.0 p -102.52 54.47 0.78 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.47 41.41 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.283 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 56' ' ' SER . 10.5 mm -66.35 -13.65 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.925 HD12 ' O ' ' A' ' 70' ' ' LYS . 3.3 tt -71.85 -6.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.484 0.659 . . . . 0.0 109.56 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -34.79 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.09 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.783 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.28 -43.0 3.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -179.277 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.624 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -43.55 -31.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -65.52 31.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.072 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.624 ' H ' ' C ' ' A' ' 62' ' ' ALA . 3.0 t -135.9 96.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.745 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 64' ' ' SER . 3.7 mt 146.5 -27.91 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.816 0.697 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.511 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 9.0 m-85 -118.44 -175.38 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.15 -25.88 67.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.165 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 157.99 83.25 0.04 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 70' ' ' LYS . 8.3 mm -48.17 157.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.413 . . . . 0.0 110.671 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.925 ' O ' HD12 ' A' ' 59' ' ' ILE . 8.4 tttp -100.78 -106.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.663 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 70' ' ' LYS . 71.2 m -103.53 177.11 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.422 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -145.89 143.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.768 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 11.8 t-20 -170.8 157.89 5.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.497 0.665 . . . . 0.0 112.181 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.672 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -127.73 148.35 50.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.174 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.547 HG22 HD21 ' A' ' 40' ' ' LEU . 13.9 m -145.44 -156.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.282 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -107.28 162.43 13.91 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 -179.471 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' ASN . 35.5 tp10 -35.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.679 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -49.91 -51.84 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.797 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -63.29 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CD1' HD22 ' A' ' 40' ' ' LEU . 5.6 t80 -41.63 -49.51 4.15 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.2 t80 -53.54 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.937 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 81' ' ' PHE . 64.3 t80 -32.02 -39.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.9 t-20 -78.85 -51.67 9.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.1 tp -72.56 -11.57 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -83.44 -23.44 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.412 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? . . . . . 0 C--N 1.333 -0.148 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.227 -0.083 0 CA-C-O 120.706 0.289 . . . . 0.0 110.458 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.2 tt0 -39.39 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 4.1 t80 -45.86 -43.27 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.665 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -63.57 -25.44 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.74 -63.65 1.33 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 1.4 t80 -55.02 -40.13 69.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.16 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 19.6 ttpp -68.87 -43.54 75.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.75 -17.35 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.841 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.46 -29.41 56.92 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.68 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.769 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt -67.2 -42.44 84.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLU . 90.1 mttt -38.48 -51.85 1.58 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.994 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HZ2' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -50.56 -43.7 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.397 0.617 . . . . 0.0 109.494 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.9 t-160 -69.36 -61.33 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.317 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.36 30.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.8 tt0 -41.84 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.811 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 19' ' ' ILE . 16.1 mtpp -74.24 -25.54 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -72.44 41.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.668 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.777 HG23 ' H ' ' A' ' 20' ' ' GLY . 2.8 tp -70.26 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.777 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.97 -39.48 0.01 OUTLIER Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' ILE . 83.9 t80 -75.63 -48.49 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.334 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.1 t-80 -65.92 -16.62 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -90.6 -5.18 56.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -89.8 -71.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.732 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 9.2 m-85 -111.85 -59.72 1.95 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.3 mm -41.51 -49.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.211 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 26' ' ' ILE . 63.0 tttt 18.64 -130.93 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.424 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 29' ' ' ILE . 10.9 t70 -125.5 68.5 1.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.162 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 30' ' ' ASN . 1.3 mt -58.15 -145.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.555 ' H ' HG22 ' A' ' 29' ' ' ILE . 37.3 p-10 -167.62 23.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.645 ' HB3' HD23 ' A' ' 42' ' ' LEU . 18.8 mmt-85 -135.52 87.73 2.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.332 0.586 . . . . 0.0 110.514 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 51.2 p90 -149.84 125.97 10.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.034 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.45 143.03 42.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.063 0.458 . . . . 0.0 111.62 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 8.7 p90 -134.66 56.78 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.872 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -122.13 53.0 1.24 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.563 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -174.98 53.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.207 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.9 p30 42.64 17.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ASN . 97.5 t -148.61 160.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.524 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.7 mp -121.8 119.82 32.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.58 143.33 46.85 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.4 mt -139.15 136.7 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.185 0.517 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.645 HD23 ' HB3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -58.71 132.54 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.651 -179.529 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' VAL . 57.1 tp -158.52 108.19 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.283 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -90.1 -49.13 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.525 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 17.1 m-80 -42.19 118.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -67.3 -35.81 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.654 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' ASN . 68.1 m-85 -63.36 -68.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 109.967 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.87 -40.31 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.375 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -71.05 -38.59 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.378 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' PHE . 18.5 t-20 -52.02 -49.6 63.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.941 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.74 -43.86 13.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.623 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.4 mt -51.56 -48.81 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.902 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -77.74 -12.55 59.98 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.0 -27.71 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -150.83 57.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.198 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.6 m -77.16 45.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.505 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.85 29.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.445 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' A' ' 56' ' ' SER . 26.8 mm -63.27 -19.65 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.46 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 5.1 tt -67.23 1.98 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.426 0.631 . . . . 0.0 109.808 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 58' ' ' ILE . 23.0 m170 -78.35 -49.04 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.929 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.911 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -100.7 -41.75 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.801 -179.059 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.97 -33.77 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -81.63 29.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.759 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -109.34 -34.67 6.48 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.3 -76.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CE1' HD11 ' A' ' 69' ' ' ILE . 42.4 p90 -119.48 114.03 21.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -54.63 158.1 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.4 -10.93 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 66' ' ' TYR . 21.3 mm -59.55 89.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.082 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -66.35 -34.93 79.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.949 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.4 t 179.06 -176.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.526 ' N ' ' OG ' ' A' ' 71' ' ' SER . 4.2 t -144.6 141.3 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -157.51 153.0 26.33 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.453 0.644 . . . . 0.0 111.826 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -127.4 145.69 50.73 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.62 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' LEU . 5.8 m -147.22 -169.69 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -90.68 155.63 18.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.067 0.46 . . . . 0.0 111.171 -179.457 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.557 ' HA ' HD11 ' A' ' 42' ' ' LEU . 13.6 tp10 -41.15 -42.84 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.802 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -70.81 -50.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.724 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 76' ' ' ASN . 3.3 m-20 -56.31 -53.75 53.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.171 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -55.54 -44.4 76.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.78 -35.25 72.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.136 0.493 . . . . 0.0 110.588 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.54 -27.5 67.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.791 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -68.99 -42.86 75.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.586 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -85.83 -18.03 34.03 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.453 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.22 -27.3 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.743 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.3 mt-10 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.527 ' OE1' HD12 ' A' ' 65' ' ' LEU . 2.1 tp-100 -44.92 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -43.22 -51.14 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.73 -26.6 65.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.514 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.9 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -80.35 -60.47 2.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -44.96 96.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -62.07 -48.78 78.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -57.65 -27.2 62.63 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.047 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.21 -30.36 70.8 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.013 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.703 ' N ' HD23 ' A' ' 10' ' ' LEU . 7.1 mt -68.18 -44.24 76.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 11' ' ' LEU . 43.5 tttp -36.99 -55.05 0.94 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -53.21 -40.56 64.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.1 t60 -71.2 -62.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.512 ' CD1' ' OG1' ' A' ' 18' ' ' THR . 3.1 m-85 -78.2 22.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -48.08 -27.55 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 19' ' ' ILE . 86.3 mttt -91.13 -47.01 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.743 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.512 ' OG1' ' CD1' ' A' ' 15' ' ' TYR . 7.8 p -70.65 41.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.034 HG23 ' H ' ' A' ' 20' ' ' GLY . 5.0 tt -58.34 -85.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.2 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 1.034 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.23 -57.73 0.13 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' GLY . 76.7 t80 -39.58 -47.64 1.96 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.603 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.8 t-80 -62.31 -52.0 65.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.173 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.57 -2.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.665 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -96.86 -74.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.408 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' LYS . 7.0 m-85 -102.82 -66.8 0.91 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.052 -0.659 . . . . 0.0 112.088 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.7 mm -38.72 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.193 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 25' ' ' TYR . 70.3 tttt -81.75 -39.0 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.716 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 25' ' ' TYR . 37.7 t70 -68.8 -35.42 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.006 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' ASN . 72.9 mt -43.09 158.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 30.9 p30 -164.24 16.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -135.86 113.23 10.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 110.785 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -152.91 129.35 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.74 143.22 41.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.323 0.582 . . . . 0.0 111.829 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.68 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.4 t80 -131.27 54.01 1.95 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.808 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' C ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -135.14 90.01 2.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 1.2 p30 169.02 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.069 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 21.7 p-10 142.23 10.3 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.073 0.858 . . . . 0.0 110.629 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.676 HG12 ' N ' ' A' ' 39' ' ' LEU . 40.3 t -153.95 170.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' HG12 ' A' ' 38' ' ' VAL . 6.2 mp -118.39 115.36 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 145.33 45.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.342 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.09 134.75 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -66.73 133.66 50.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.7 tp -150.83 108.56 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.18 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -90.38 -40.05 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.729 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -42.26 114.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -68.23 -39.51 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.067 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -62.33 -66.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.014 0.435 . . . . 0.0 109.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' SER . . . -43.11 -69.47 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.107 0.48 . . . . 0.0 110.031 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' ALA . 14.4 ttp85 -36.05 -40.46 0.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.248 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.71 -47.82 81.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.517 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 25.7 p -81.16 -55.07 4.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.592 -1.186 . . . . 0.0 112.643 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' N ' ' OG ' ' A' ' 51' ' ' SER . 33.8 mt -44.05 -54.73 5.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.817 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -70.73 -11.14 60.76 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.917 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.6 t70 -72.4 -29.41 63.71 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.417 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.7 t30 -149.83 62.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.812 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -96.43 51.27 1.18 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.201 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -79.2 47.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 58' ' ' ILE . 22.1 mm -62.8 0.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.381 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 tt -89.02 -29.1 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -55.75 -14.37 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.789 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.753 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -126.39 -48.54 1.56 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 8.93 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' H ' ' C ' ' A' ' 61' ' ' LEU . 16.7 pt-20 -90.16 26.15 1.97 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.635 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' TYR . 72.1 p -121.79 -69.23 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.711 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.9 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -39.58 -27.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.958 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.3 m-85 -119.27 170.62 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.4 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -59.13 -31.14 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.88 85.4 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.457 HD12 HD13 ' A' ' 39' ' ' LEU . 5.4 mm -47.2 146.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.464 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' HZ2' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -83.9 -39.43 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.151 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 20.2 t -174.87 175.94 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.419 ' N ' ' OG ' ' A' ' 71' ' ' SER . 8.7 t -148.91 147.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.996 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 9.2 t-20 -173.28 159.52 3.82 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.612 0.72 . . . . 0.0 112.011 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.584 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -131.43 148.5 52.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.062 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.66 -155.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' GLU . 1.3 m-20 -106.01 161.37 14.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' ASN . 9.7 tm-20 -35.38 -68.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.585 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.95 -50.69 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.171 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.403 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 3.9 m-20 -51.56 -62.03 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.689 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.2 t80 -40.9 -46.73 2.84 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 0.0 110.33 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' ASN . 59.6 t80 -55.46 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' PHE . 24.0 t80 -35.69 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 6.3 t-20 -75.75 -51.99 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.407 ' CD2' ' CZ ' ' A' ' 80' ' ' PHE . 1.8 pp -80.4 -15.94 55.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 110.494 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . . . -77.96 -32.92 51.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.2 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 21.8 tt0 -42.77 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.256 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.597 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 1.6 p90 -45.04 -44.96 10.54 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.089 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.597 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 16.8 t-20 -62.4 -26.92 68.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.512 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -79.13 -61.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.365 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -42.31 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 109.913 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -67.74 -45.64 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 11.4 p -57.91 -21.64 44.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.095 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -70.17 -45.93 65.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.361 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.3 mt -51.81 -44.17 63.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLU . 3.7 ttmp? -38.7 -62.32 0.62 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.051 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -41.04 3.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.5 . . . . 0.0 110.119 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.601 ' CG ' HD21 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -71.39 -60.85 2.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.261 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -90.88 31.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.384 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 12' ' ' LYS . 5.1 pt-20 -47.72 -47.89 29.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.756 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -93.28 2.56 56.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -124.81 46.62 2.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.732 HG23 ' N ' ' A' ' 20' ' ' GLY . 15.2 tt -88.24 -59.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.724 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.732 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -30.51 -59.46 0.23 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' GLY . 20.1 t80 -39.54 -46.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 19' ' ' ILE . 13.6 t-80 -63.0 -57.61 10.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.532 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -15.32 12.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -57.76 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -77.7 -73.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.469 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -62.23 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.281 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 29' ' ' ILE . 23.9 mtmt 64.93 -176.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -55.89 80.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.5 tp -53.09 163.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.035 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.467 ' H ' ' HD3' ' A' ' 31' ' ' ARG . 20.5 m120 -145.74 8.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.558 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.47 88.67 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.37 0.605 . . . . 0.0 110.456 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -159.46 145.31 16.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.232 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -149.04 152.13 12.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.124 0.488 . . . . 0.0 111.473 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 12.3 p90 -137.11 63.2 1.57 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.011 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -119.85 21.87 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' A' ' 38' ' ' VAL . 77.8 m-20 -128.09 29.14 5.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.848 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.88 -18.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.0 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.804 HG12 ' H ' ' A' ' 39' ' ' LEU . 15.9 t -118.5 178.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.379 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.804 ' H ' HG12 ' A' ' 38' ' ' VAL . 5.8 mp -123.18 121.39 35.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD11 HG21 ' A' ' 75' ' ' VAL . 10.2 tt -118.59 144.02 46.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.657 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.01 131.1 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.112 0.482 . . . . 0.0 110.693 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.546 ' C ' HD23 ' A' ' 42' ' ' LEU . 5.6 tt -78.56 90.46 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' VAL . 26.8 tp -99.72 120.5 39.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.109 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' ASN . 34.3 mt-10 -91.24 -71.41 0.63 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.824 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 88.1 m-20 -29.42 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.945 -178.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.26 -40.81 25.87 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.9 m-85 -60.23 -66.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 0.0 109.814 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.59 -32.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.518 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.62 ' NH1' ' ND2' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -82.66 -32.95 27.92 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.796 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 47' ' ' PHE . 52.0 t-20 -52.63 -47.21 67.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.498 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -44.63 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.674 -178.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' LEU . 26.0 mt -47.71 -55.49 9.39 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.264 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -72.17 -9.72 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.839 -179.461 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.84 -31.9 59.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.353 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -165.88 68.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 1.6 m -91.23 -91.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 71.93 51.29 0.22 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.652 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 58' ' ' ILE . 51.7 mt -71.91 -0.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.167 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.433 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 4.2 tt -83.86 -3.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -75.85 -10.69 59.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.068 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.916 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -138.69 -35.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.6 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -61.03 -25.23 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.342 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.59 34.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.108 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 62' ' ' ALA . 33.4 m -129.71 -31.64 1.97 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.991 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tp -86.81 -25.34 24.63 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.565 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.429 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 18.9 m-85 -117.82 -172.83 2.32 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.6 95.7 10.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.783 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 40.62 73.35 0.2 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLY . 3.4 mm -38.59 141.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' OG ' ' A' ' 71' ' ' SER . 40.2 mttm -84.22 -39.44 19.31 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.596 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.8 m -179.25 -178.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.988 0.423 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 t -149.15 146.9 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.64 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -165.55 165.44 18.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.099 0.476 . . . . 0.0 111.429 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -129.56 165.18 22.22 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.431 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -153.13 -164.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.522 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.62 ' ND2' ' NH1' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -122.68 178.39 5.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.107 0.48 . . . . 0.0 111.433 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.468 ' HA ' HD11 ' A' ' 42' ' ' LEU . 39.5 mt-10 -34.11 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.255 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.92 -51.03 69.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.6 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 7.4 m-20 -52.57 -61.2 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.39 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.82 -43.65 8.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.214 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.9 t80 -60.4 -67.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' PHE . 78.9 t80 -28.55 -38.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.03 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.0 t30 -76.8 -50.22 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.308 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . 43.2 tp -74.3 -25.3 59.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB2' ' CD1' ' A' ' 81' ' ' PHE . . . -71.17 -9.57 58.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.526 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.709 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 6' ' ' ALA . 8.5 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.788 0.328 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' ALA . 11.4 tt0 -41.44 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -43.48 -49.23 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.899 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 11.2 t-20 -61.16 -27.34 68.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.519 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -82.65 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.862 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -56.0 -44.11 78.32 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.614 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 24.2 ttmt -65.44 -44.15 88.23 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 7.1 p -57.64 -24.74 58.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.403 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -64.23 -40.92 97.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 14' ' ' HIS . 22.1 mt -58.8 -48.28 81.81 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' LEU . 56.0 tttm -36.48 -57.33 0.76 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.976 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -51.2 -43.31 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.122 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -68.35 -65.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.392 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -77.95 24.06 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -46.67 -63.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.446 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -79.67 -0.58 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.2 41.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.93 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.4 tt -77.55 -67.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.93 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.1 -37.05 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 19' ' ' ILE . 72.9 t80 -77.24 -48.95 16.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.038 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 55.4 t-80 -62.77 -25.83 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.651 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.42 -5.43 59.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.343 0.592 . . . . 0.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -92.41 -53.02 4.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.566 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CD2' ' ND2' ' A' ' 45' ' ' ASN . 29.1 m-85 -120.69 -70.62 0.78 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.618 -0.833 . . . . 0.0 112.174 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.535 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.9 mt -41.18 -41.94 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.641 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 26' ' ' ILE . 23.3 ttpp 22.85 -107.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.44 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 29' ' ' ILE . 45.2 t0 -157.01 71.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.327 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.609 HG22 ' H ' ' A' ' 30' ' ' ASN . 1.4 mt -57.72 -149.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.503 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.609 ' H ' HG22 ' A' ' 29' ' ' ILE . 47.6 m-20 -154.67 23.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.551 ' CB ' HD23 ' A' ' 42' ' ' LEU . 2.8 mmp_? -136.12 90.87 2.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.343 0.592 . . . . 0.0 110.72 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 48.8 p90 -147.57 127.51 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.72 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.81 139.76 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.181 0.515 . . . . 0.0 112.032 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -134.16 141.59 47.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.847 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 28.9 mtmm -120.03 -34.79 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 12.1 t30 140.31 -18.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.995 0.809 . . . . 0.0 109.603 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -99.32 -42.02 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.205 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.495 ' C ' HD12 ' A' ' 39' ' ' LEU . 35.7 t -148.53 157.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.363 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 38' ' ' VAL . 6.3 mp -127.68 127.53 43.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.107 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.06 143.71 46.97 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.901 0.382 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.8 mt -139.51 136.6 40.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD23 ' CB ' ' A' ' 31' ' ' ARG . 1.7 mm? -59.09 134.59 57.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.282 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' VAL . 14.2 tp -159.06 100.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.698 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 46' ' ' GLU . 25.6 mt-10 -87.29 -55.98 3.57 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.394 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.461 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 42.2 m-80 -35.02 89.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.4 tt0 -40.26 -30.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 50' ' ' ASN . 74.6 t80 -68.39 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.81 -28.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.452 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.563 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 0.1 OUTLIER -85.25 -33.59 22.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.949 0.404 . . . . 0.0 110.1 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.9 t-20 -55.03 -41.64 71.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -49.58 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.691 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -46.68 -58.75 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -11.02 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.71 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.24 -29.13 53.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.954 0.407 . . . . 0.0 110.27 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -165.1 52.67 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -80.28 -89.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.567 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 70.4 50.26 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 58' ' ' ILE . 34.6 mm -67.05 -5.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 59' ' ' ILE . 7.2 tt -79.69 -7.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.259 0.552 . . . . 0.0 109.597 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -72.77 -15.65 61.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.036 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.861 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -129.84 -45.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 0.0 109.781 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -54.58 -24.95 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.292 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HA ' ' H ' ' A' ' 69' ' ' ILE . 7.6 pt-20 -61.66 1.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' A' ' 65' ' ' LEU . 25.1 p -96.38 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.985 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.777 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -38.53 -24.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.799 -179.515 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.2 m-85 -118.84 175.51 5.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.73 -27.55 69.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.36 84.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' H ' ' HA ' ' A' ' 63' ' ' GLU . 5.1 mm -44.95 146.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' O ' ' OG ' ' A' ' 71' ' ' SER . 5.2 mmtp -90.08 -43.48 10.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 1.3 m -169.59 171.23 7.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 t -147.48 145.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.015 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -164.97 154.68 13.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.482 0.658 . . . . 0.0 111.665 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.74 146.1 52.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.385 179.682 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' LEU . 28.4 m -149.13 -160.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.948 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.563 ' OD1' ' NH1' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -99.15 164.41 12.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.2 0.524 . . . . 0.0 111.039 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 42' ' ' LEU . 60.6 tt0 -37.37 -70.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.601 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -49.15 -52.47 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.959 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 5.2 m-20 -50.19 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.23 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -42.53 -43.83 3.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t80 -58.98 -68.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.324 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.6 t80 -29.97 -38.71 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -73.88 -49.23 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.095 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.8 tp -73.92 -19.18 60.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.051 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.89 -33.47 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.719 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.3 tptt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.753 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 54.2 mt-10 . . . . . 0 C--O 1.228 -0.046 0 CA-C-O 120.854 0.359 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.549 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 45.5 tt0 -40.8 -80.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.206 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -49.19 -41.25 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -25.2 64.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -73.36 -59.56 2.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -59.14 -52.79 64.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.809 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -53.99 -27.86 34.23 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.953 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -61.14 -41.64 97.11 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.461 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.0 mt -57.3 -44.83 84.42 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -38.59 -56.47 1.29 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -41.8 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.785 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 38.1 t60 -67.48 -68.16 0.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.371 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -73.69 20.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -56.82 -23.0 40.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.313 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -87.0 -66.33 0.92 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 39.64 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.329 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.877 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.5 tt -41.36 -65.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.877 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.36 -56.26 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -42.55 -47.84 5.24 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.601 ' N ' ' O ' ' A' ' 19' ' ' ILE . 25.0 t-80 -62.79 -47.92 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 7.3 t0 -66.11 2.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.412 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -98.28 -56.38 2.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.891 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LYS . 42.7 m-85 -127.15 -61.17 1.17 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.072 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' TYR . 9.9 mm -38.28 -23.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 25' ' ' TYR . 44.4 tttm -81.96 -57.78 3.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.44 89.41 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.678 HD11 ' O ' ' A' ' 42' ' ' LEU . 3.4 tp -158.48 161.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.104 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' A' ' 30' ' ' ASN . 1.0 OUTLIER -165.76 19.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.364 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -138.9 108.87 6.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.322 0.582 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CD2' ' N ' ' A' ' 32' ' ' PHE . 9.5 p90 -156.69 138.35 14.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.03 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -145.91 153.36 13.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.304 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -137.6 145.91 43.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.41 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -176.28 -21.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.947 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' VAL . 62.8 m-80 -119.7 44.72 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.14 4.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.39 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' ASN . 79.3 t -119.65 156.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.065 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' N ' HG12 ' A' ' 38' ' ' VAL . 4.9 mp -124.86 123.27 39.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.22 141.28 48.36 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.7 mt -140.49 135.73 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.678 ' O ' HD11 ' A' ' 29' ' ' ILE . 2.7 mm? -65.25 136.91 57.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.148 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -159.41 98.58 1.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.78 -28.77 27.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 31.6 m120 -43.49 112.62 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -64.76 -48.18 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.054 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 29.7 m-85 -60.88 -64.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -41.33 -73.18 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.23 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 29.1 ttt-85 -36.61 -38.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.78 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 1.6 t30 -54.93 -47.73 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.297 0.57 . . . . 0.0 110.311 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -86.24 -48.29 8.67 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.132 -179.07 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.492 HD12 ' HB1' ' A' ' 48' ' ' ALA . 4.7 mt -47.0 -53.85 11.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.137 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -73.94 -9.83 59.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.826 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.54 -28.99 61.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.248 0.547 . . . . 0.0 109.558 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -150.85 61.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.984 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 58' ' ' ILE . 77.3 p -83.27 47.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.951 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.64 32.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.076 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' ' 56' ' ' SER . 22.0 mm -60.6 -5.47 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.747 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 59' ' ' ILE . 7.8 tt -79.7 -12.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.5 -20.86 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.059 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.931 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.89 -45.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.021 0.438 . . . . 0.0 110.441 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.06 -15.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.845 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.53 33.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.829 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' TYR . 85.3 p -130.66 -70.26 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.911 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.4 tm? -37.58 -24.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.438 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.647 ' CZ ' HD12 ' A' ' 65' ' ' LEU . 13.8 m-85 -118.85 -179.52 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.028 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.2 pm0 -69.36 -38.73 78.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.33 89.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 71' ' ' SER . 5.1 mm -59.01 137.98 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.795 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -37.37 52.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.846 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 69' ' ' ILE . 4.4 p 178.01 -176.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.684 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.2 144.15 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.535 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 35.2 t-20 -163.82 152.36 13.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.562 0.696 . . . . 0.0 112.346 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.656 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -121.28 153.11 38.1 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.51 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.424 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 10.5 m -146.87 -159.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.242 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.98 153.65 22.26 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.231 0.539 . . . . 0.0 111.129 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 78' ' ' GLN . 2.7 pt-20 -33.41 -53.71 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.443 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -65.58 -44.67 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.267 -178.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -52.66 -63.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.39 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 84' ' ' LEU . 6.7 t80 -46.33 -38.63 9.02 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -28.93 70.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.544 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ASP . 81.0 t80 -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 1.1 t30 -94.37 23.64 5.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.66 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -92.57 -72.57 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.634 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -48.53 -24.08 1.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.958 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' ALA . 25.9 tptp . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.368 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 6' ' ' ALA . 38.9 mm-40 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.827 0.346 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' A' ' 6' ' ' ALA . 37.0 tt0 -43.14 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.994 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -44.48 27.95 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -55.01 -28.63 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.725 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -76.47 -57.2 4.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 7.8 t80 -63.33 -55.78 21.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.4 -54.56 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.705 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -55.33 -28.16 51.89 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.502 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.09 -39.84 95.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.834 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 14' ' ' HIS . 8.1 mt -60.04 -53.44 57.72 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.6 tttp -34.51 -57.61 0.51 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.107 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -54.74 -43.13 72.42 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.587 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.5 t60 -59.75 -58.58 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.006 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.32 30.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.09 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.8 -36.81 72.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' NZ ' ' CB ' ' A' ' 17' ' ' LYS . 8.1 mtpm? -81.43 -43.61 18.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.182 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -78.24 32.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.212 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.039 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.2 tt -44.09 -80.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 1.039 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.38 -61.63 0.08 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -45.07 -46.83 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.033 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 19' ' ' ILE . 15.6 t-80 -68.56 -25.55 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' GLY . 9.4 t70 -90.56 -13.8 33.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.228 0.537 . . . . 0.0 109.838 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -89.62 -49.23 6.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.259 -179.059 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 27' ' ' LYS . 68.7 m-85 -118.05 -75.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.312 -0.955 . . . . 0.0 112.348 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.6 mt -39.9 -19.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.345 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 25' ' ' TYR . 2.8 tmtm? -63.6 -31.45 72.62 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.289 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.56 57.42 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 5.7 mm -128.72 144.47 37.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -163.79 21.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.578 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -141.33 121.39 13.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.075 0.464 . . . . 0.0 110.713 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 29.2 p90 -163.74 140.56 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -148.3 161.69 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.713 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.25 73.72 1.45 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.88 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 63.2 mttm -119.26 81.27 1.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 8.1 m-20 161.53 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.774 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.423 ' C ' HG23 ' A' ' 38' ' ' VAL . 19.7 p-10 -166.37 22.62 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.352 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.687 HG12 ' N ' ' A' ' 39' ' ' LEU . 41.6 t -154.61 171.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.08 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.687 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.3 mp -119.54 122.76 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.96 139.77 50.26 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 0.0 109.949 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' A' ' 74' ' ' PHE . 54.1 mt -133.31 131.79 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.606 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -63.22 129.75 41.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.157 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 tp -152.59 99.9 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.043 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -80.4 -43.32 21.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.757 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -45.77 111.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.8 tp10 -61.44 -47.05 87.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -58.49 -65.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.875 0.369 . . . . 0.0 110.567 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.09 -32.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -78.08 -41.04 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.08 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -53.85 -35.81 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.326 0.584 . . . . 0.0 110.624 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.32 -47.19 7.91 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.475 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.45 -51.91 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -74.12 -18.98 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.098 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.51 -21.66 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -158.5 72.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.026 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.567 ' C ' ' H ' ' A' ' 58' ' ' ILE . 23.7 m -92.14 50.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -70.06 34.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.911 0.386 . . . . 0.0 110.315 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 56' ' ' SER . 31.6 mm -70.46 -0.55 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.2 tt -86.43 -3.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.389 0.614 . . . . 0.0 109.549 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -78.76 -15.32 58.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.967 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.868 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -127.66 -42.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.019 0.437 . . . . 0.0 110.017 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.607 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.32 -24.31 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.652 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.84 32.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.432 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.607 ' H ' ' C ' ' A' ' 62' ' ' ALA . 5.9 m -129.49 -64.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.725 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -50.27 -38.81 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.014 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' C ' ' H ' ' A' ' 68' ' ' GLY . 40.3 m-85 -120.89 101.79 7.93 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.25 32.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -157.16 41.92 0.53 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -78.32 110.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' O ' ' OG ' ' A' ' 71' ' ' SER . 3.9 mmmm -82.2 -35.57 28.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.2 m 178.61 -176.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.197 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 58' ' ' ILE . 18.5 t -138.77 134.38 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.864 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 63.0 t30 -136.32 157.33 47.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 111.978 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 3.2 m-85 -137.63 131.49 31.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.057 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.07 -174.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.582 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.429 ' ND2' ' CG ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -89.99 166.52 13.41 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.206 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 77' ' ' GLU . 17.9 mp0 -38.93 -72.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.944 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' PHE . 15.0 tt0 -47.82 -52.84 17.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' PHE . 29.1 m-20 -47.89 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD2' HD21 ' A' ' 42' ' ' LEU . 3.8 t80 -47.51 -38.32 13.74 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.58 -11.65 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 78' ' ' GLN . 10.7 t80 -78.02 -41.33 36.12 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -55.84 -25.42 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.279 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.7 mm? -85.85 -13.63 47.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.36 43.46 3.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.684 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 pttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.067 178.877 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ALA . 2.2 pm0 . . . . . 0 CA--C 1.526 0.028 0 CA-C-O 120.821 0.343 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 22.7 mp0 -42.5 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 2.6 p90 -45.07 -44.96 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.005 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 37.9 t-20 -58.87 -31.45 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.748 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -76.65 -59.56 2.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.75 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CE2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.62 -46.93 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.136 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 34.1 ttpt -56.48 -53.74 53.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.018 0.437 . . . . 0.0 110.873 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 66.8 m -57.52 -23.58 51.05 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -36.28 81.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.433 178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 14' ' ' HIS . 10.2 mt -63.95 -45.34 89.58 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.901 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' LEU . 35.0 mtmt -37.41 -55.52 1.05 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.904 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -42.68 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.2 t-80 -64.43 -65.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.972 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.01 25.55 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.021 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.9 tp10 -45.92 -44.8 14.99 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.292 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -78.52 -40.77 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.231 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 44.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.265 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.031 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.7 tt -60.29 -74.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.717 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 1.031 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.07 -58.73 0.09 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -40.9 -46.88 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.979 0.418 . . . . 0.0 109.975 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' N ' ' O ' ' A' ' 19' ' ' ILE . 49.5 t-80 -63.11 -56.92 12.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.77 -4.01 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.92 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -93.94 -51.67 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.926 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 61.6 m-85 -129.85 -62.92 0.94 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.043 -0.663 . . . . 0.0 112.247 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' TYR . 14.7 mm -37.86 -22.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.728 0.299 . . . . 0.0 111.074 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 29' ' ' ILE . 39.0 tttt -79.84 -147.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 29' ' ' ILE . 19.1 t70 30.63 -84.96 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.746 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 27' ' ' LYS . 97.4 mt -37.08 162.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.593 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -168.93 66.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.962 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -134.11 116.63 15.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -154.01 149.41 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.041 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.19 144.07 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' C ' ' A' ' 34' ' ' PHE . 6.8 p90 -134.48 145.19 48.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.609 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 20.8 tptt -117.61 -81.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 17.7 m120 -164.78 32.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.362 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 20.8 p-10 -171.94 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.983 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 39' ' ' LEU . 46.7 t -147.61 162.58 7.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.842 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.625 HD12 ' C ' ' A' ' 38' ' ' VAL . 7.3 mp -128.99 130.36 46.57 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.048 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.51 HD21 HG22 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -117.89 142.44 47.33 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.465 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -136.42 133.75 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 1.9 mm? -62.4 136.27 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 111.064 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' VAL . 15.3 tp -163.91 97.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.277 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' A' ' 45' ' ' ASN . 2.8 pp20? -84.45 -37.07 21.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.622 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 10.5 m120 -44.99 113.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.81 -43.42 94.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.524 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' A' ' 50' ' ' ASN . 4.7 m-85 -64.91 -68.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.322 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.44 ' O ' HD12 ' A' ' 52' ' ' LEU . . . -38.83 -32.9 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -80.54 -35.76 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.79 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.4 t-20 -53.58 -54.93 30.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.332 0.587 . . . . 0.0 110.772 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -47.15 46.23 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.344 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 48' ' ' ALA . 28.9 mt -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.365 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -75.95 -17.71 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.276 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 53.1 m-20 -69.82 -24.67 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -155.99 69.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.069 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 58' ' ' ILE . 15.6 p -85.59 47.33 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.04 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -74.1 31.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.506 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.585 ' O ' HD12 ' A' ' 61' ' ' LEU . 68.0 mt -64.98 -17.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 tt -64.94 -12.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.156 0.503 . . . . 0.0 109.976 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -65.81 -25.37 67.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.137 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.19 -41.86 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.378 . . . . 0.0 110.489 -179.162 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 64' ' ' SER . . . -46.95 -32.98 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.711 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -52.3 -13.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.608 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.655 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 0.5 OUTLIER -91.29 94.03 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.342 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HB2' ' O ' ' A' ' 64' ' ' SER . 0.4 OUTLIER 148.48 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.881 0.738 . . . . 0.0 109.702 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 66' ' ' TYR . 10.2 m-85 -117.9 -175.45 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.197 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -85.46 96.77 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 37.93 73.17 0.15 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' GLY . 4.3 mm -37.68 141.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.787 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 47.3 mmtt -82.59 -38.47 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.062 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.567 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 6.4 t 177.67 -175.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.533 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.567 ' N ' ' OG ' ' A' ' 71' ' ' SER . 5.1 t -146.06 141.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.783 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 21.0 t-20 -147.71 161.27 41.53 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.234 0.54 . . . . 0.0 111.594 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.612 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -143.66 145.67 32.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.805 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.51 HG22 HD21 ' A' ' 40' ' ' LEU . 18.9 m -144.76 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.595 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.0 t30 -119.22 173.81 6.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.614 0.721 . . . . 0.0 111.023 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 72.0 mt-10 -39.23 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.859 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.06 -53.44 33.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.212 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 40.7 m-20 -49.34 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.041 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.04 -37.54 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.88 -24.26 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.039 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.87 -36.0 72.61 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.939 0.4 . . . . 0.0 109.946 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.74 -43.37 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.566 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.24 -18.04 61.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.026 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.33 -18.88 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.256 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.565 -179.26 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.5 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.685 0.279 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.465 ' CD ' ' N ' ' A' ' 4' ' ' PHE . 13.4 tm0? -50.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' N ' ' CD ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -45.11 -58.26 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.343 0.592 . . . . 0.0 109.464 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.87 -23.7 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.204 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -81.99 -60.34 2.26 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.824 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -56.57 -49.25 75.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 109.914 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 27.4 ttpt -59.71 -52.86 63.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.674 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -53.84 -24.34 15.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.028 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -65.27 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.763 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' HIS . 17.4 mt -65.67 -47.92 73.83 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 11' ' ' LEU . 22.1 mttm -37.61 -54.95 1.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.257 -0.577 . . . . 0.0 109.482 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -55.93 -41.41 74.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.119 0.485 . . . . 0.0 109.874 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 11' ' ' LEU . 16.0 t-80 -69.08 -66.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.187 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.5 m-85 -74.94 19.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 14' ' ' HIS . 5.0 tm-20 -49.19 -46.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -89.77 14.85 10.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -139.42 54.87 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.829 HG23 ' H ' ' A' ' 20' ' ' GLY . 13.9 tt -73.36 -63.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.829 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.09 -62.5 0.07 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' A' ' 20' ' ' GLY . 56.5 t80 -35.87 -49.74 0.63 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.591 ' N ' ' O ' ' A' ' 19' ' ' ILE . 22.6 t60 -60.48 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.062 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.07 -6.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.921 0.391 . . . . 0.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -88.86 -77.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.457 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' LYS . 5.9 m-85 -102.41 -75.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.779 -178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.583 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 1.7 mp -36.73 -29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.535 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' A' ' 26' ' ' ILE . 1.8 ttmp? 19.16 -125.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 28' ' ' ASP . 48.3 p30 -122.69 80.86 1.79 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.27 -161.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -169.84 40.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -133.16 100.55 4.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.318 0.58 . . . . 0.0 110.678 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -146.39 151.99 38.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.478 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.9 m -134.17 119.04 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.325 0.583 . . . . 0.0 111.849 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.63 126.2 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.556 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -120.03 -58.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.194 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.5 t-20 164.63 -23.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -94.7 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 39' ' ' LEU . 36.0 t -151.26 164.68 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 111.527 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.597 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.2 mp -127.12 125.98 42.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.572 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.771 HD23 ' N ' ' A' ' 41' ' ' ILE . 5.1 tt -119.73 148.06 43.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.771 ' N ' HD23 ' A' ' 40' ' ' LEU . 76.7 mt -140.55 136.87 36.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 42' ' ' LEU . 3.7 mm? -60.4 139.98 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' VAL . 27.5 tp -160.45 115.93 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.56 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -87.46 -70.45 0.62 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.688 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.5 m-80 -32.59 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.612 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . 5.0 pt-20 -42.77 -31.86 0.53 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.072 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 50' ' ' ASN . 81.7 m-85 -66.82 -65.73 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.925 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.9 -31.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.322 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.24 -32.12 43.74 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 47' ' ' PHE . 47.5 t-20 -58.52 -55.3 36.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 109.984 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -53.2 41.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.705 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 52' ' ' LEU . 20.8 mt -48.64 -51.44 28.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -72.49 -12.81 61.24 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.631 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -72.0 -30.09 64.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -151.32 56.37 0.88 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.695 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 58' ' ' ILE . 12.1 p -73.21 46.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.748 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.587 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.9 OUTLIER -70.44 18.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.542 ' H ' ' C ' ' A' ' 56' ' ' SER . 29.9 mm -49.55 -4.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.247 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.578 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.5 tt -88.73 -26.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.672 ' CE1' HD11 ' A' ' 61' ' ' LEU . 23.0 p-80 -59.3 -10.62 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -121.77 -48.2 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.515 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 6.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.142 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 61' ' ' LEU . 10.0 pt-20 -85.19 -4.77 59.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 m -91.3 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.636 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -50.46 -24.49 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -117.53 149.14 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.415 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -45.42 -62.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.26 82.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 71' ' ' SER . 4.5 mm -51.52 153.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.419 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' A' ' 71' ' ' SER . 11.6 tptm -87.84 -36.15 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.503 ' H ' HG22 ' A' ' 69' ' ' ILE . 3.5 m 176.58 -174.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.23 144.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.413 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 56.6 t30 -142.53 160.18 40.78 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.41 0.624 . . . . 0.0 111.748 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 73' ' ' ASN . 47.0 m-85 -138.83 134.59 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.298 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.627 HG22 HD21 ' A' ' 40' ' ' LEU . 11.4 m -148.09 -164.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.317 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -102.87 169.26 8.7 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.215 0.531 . . . . 0.0 111.239 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -38.25 -73.04 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.945 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -47.15 -52.92 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.801 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.529 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -49.9 -62.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.282 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 2.1 t80 -42.01 -42.56 2.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -57.42 -65.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.939 179.629 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.1 t80 -35.75 -33.41 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' PHE . 17.7 t-20 -73.32 -50.63 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -81.46 -15.48 54.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.593 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -78.52 -24.05 45.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 tptt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 6' ' ' ALA . 16.5 mt-10 . . . . . 0 C--O 1.226 -0.163 0 CA-C-O 120.705 0.288 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.4 tm0? -42.11 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.472 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.522 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 12.2 p90 -47.6 -41.02 20.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 37.5 t-20 -58.89 -30.83 68.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -71.25 -55.09 8.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.032 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.62 -40.35 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.412 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 22.4 ttpp -60.61 -51.1 70.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.786 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -57.51 -25.24 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.342 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -64.32 -39.47 93.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.94 -44.54 96.55 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.794 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 11' ' ' LEU . 2.1 tttp -36.32 -57.8 0.72 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -50.99 -39.27 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.923 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.738 ' ND1' HD21 ' A' ' 61' ' ' LEU . 3.7 t60 -70.58 -61.79 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.268 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -84.78 26.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' LYS . 11.6 tm-20 -56.07 -32.48 64.16 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.325 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -95.7 5.59 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -131.34 66.8 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.834 HG23 ' H ' ' A' ' 20' ' ' GLY . 5.3 tp -77.44 -64.81 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.834 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.2 -62.77 0.11 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLY . 52.1 t80 -38.47 -50.13 1.52 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.113 0.482 . . . . 0.0 109.846 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ILE . 32.8 t-80 -62.94 -59.33 4.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.981 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -57.13 -5.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.086 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -94.45 -53.58 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.529 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 27' ' ' LYS . 50.8 m-85 -129.63 -66.48 0.8 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.13 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 mm -41.12 -16.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.344 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.3 tttm -84.92 -38.03 19.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' TYR . 24.5 t70 -89.19 59.76 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 30' ' ' ASN . 63.6 mt -142.21 160.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.091 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.506 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.0 p-10 -167.0 29.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.829 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -138.09 111.99 8.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.261 0.553 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.9 p90 -145.74 160.86 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.395 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 33.6 m -149.7 125.59 2.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.188 0.518 . . . . 0.0 111.866 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.3 t80 -126.69 54.02 1.63 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.482 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 17.2 tptm -121.56 84.51 2.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.8 p30 160.72 -102.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.075 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -153.85 17.45 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.951 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 39' ' ' LEU . 24.2 t -149.33 162.7 4.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.18 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.5 mp -119.78 119.87 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.64 146.22 44.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.975 0.417 . . . . 0.0 110.275 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.7 mt -141.31 137.16 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -60.87 134.73 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.462 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tp -161.81 103.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.181 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.563 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 mp0 -90.38 -42.97 10.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.07 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.533 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -37.7 117.55 0.58 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.992 0.425 . . . . 0.0 110.861 -179.556 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.41 -42.68 99.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.761 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' ASN . 52.8 t80 -67.58 -68.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.302 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.16 -32.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.803 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -81.5 -36.37 29.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.937 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.0 t-20 -53.91 -55.88 22.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.359 0.599 . . . . 0.0 110.727 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.24 -47.61 56.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.281 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 52' ' ' LEU . 16.1 mt -48.87 -56.44 8.76 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.973 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -70.76 -12.33 61.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.822 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.01 -29.35 65.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 24.9 p-10 -165.29 82.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.057 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 58' ' ' ILE . 2.8 p -111.64 59.26 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 59' ' ' ILE . 7.2 mp0 -72.29 41.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.192 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 56' ' ' SER . 13.6 mm -63.16 -1.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.0 tt -88.33 -2.75 9.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -20.53 55.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.685 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 1.015 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -119.91 -40.04 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.013 0.435 . . . . 0.0 110.078 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -64.13 -10.47 22.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.556 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.8 17.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.654 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' TYR . 61.7 m -119.16 -69.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -39.85 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.952 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 57.0 m-85 -119.29 -169.45 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.713 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.33 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.297 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.01 84.09 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 66' ' ' TYR . 6.1 mm -53.29 142.64 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.465 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -86.29 -38.01 17.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.67 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -176.51 179.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.3 t -146.82 145.32 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.851 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -166.94 160.52 14.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.68 0.753 . . . . 0.0 111.878 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.734 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.42 145.27 47.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.112 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 m -148.48 -175.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.083 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 159.49 28.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 42' ' ' LEU . 12.2 tm-20 -37.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.569 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.461 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 4.7 mt-30 -47.85 -53.36 15.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.37 -63.55 1.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.6 t80 -42.56 -50.76 5.3 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.753 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -57.63 -62.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' A' ' 81' ' ' PHE . 23.0 t80 -27.91 -40.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 110.673 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -63.73 -41.52 98.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.753 ' N ' ' O ' ' A' ' 81' ' ' PHE . 2.8 mm? -75.33 -11.46 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.047 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.05 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.76 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.9 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.785 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.3 pp20? . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.856 0.36 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.8 tt0 -45.0 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 23.5 m-85 -41.49 -51.5 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 109.852 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.456 ' O ' ' OG ' ' A' ' 9' ' ' SER . 30.4 t-20 -59.21 -29.79 67.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.767 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 1.003 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -81.43 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.128 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -48.77 80.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.197 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 32.2 ttpt -60.41 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 49.4 m -52.76 -27.28 17.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.53 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -59.24 -50.17 75.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.688 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 14' ' ' HIS . 9.3 mt -51.26 -45.72 62.15 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LEU . 16.2 tttm -38.41 -56.06 1.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.976 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 t60 -71.41 -63.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.691 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.85 24.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -54.76 -35.5 63.84 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.426 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -88.46 -30.36 19.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 44.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 1.052 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.5 tt -53.82 -85.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 1.052 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -23.75 -62.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -42.39 -46.51 4.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 19' ' ' ILE . 51.9 t-80 -67.33 -24.56 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.758 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 t70 -90.13 -2.11 58.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -70.55 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.707 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' O ' ' N ' ' A' ' 27' ' ' LYS . 9.4 m-85 -110.77 -69.95 0.84 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.588 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.7 mp -40.77 -15.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.346 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' O ' ' A' ' 25' ' ' TYR . 74.5 tttt -6.34 -63.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ILE . 42.7 t0 -155.25 -30.03 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.233 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 30' ' ' ASN . 29.6 mm 53.08 166.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.581 ' N ' HG22 ' A' ' 29' ' ' ILE . 89.0 m-20 -146.92 11.93 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.219 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.55 ' H ' HG22 ' A' ' 29' ' ' ILE . 2.5 tpm_? -136.81 95.6 3.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.208 0.528 . . . . 0.0 111.063 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.04 149.55 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.131 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 m -149.08 134.24 10.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.195 0.522 . . . . 0.0 111.712 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 5.9 p90 -135.5 49.6 2.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 11.8 ptmm? -127.25 43.19 3.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 35' ' ' LYS . 82.4 m-20 -157.27 40.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.099 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 56.29 8.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.346 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 39' ' ' LEU . 39.4 t -146.05 156.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.4 mp -119.8 115.23 23.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.954 0.407 . . . . 0.0 110.776 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 41' ' ' ILE . 5.1 tt -119.67 147.35 44.66 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.569 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.635 ' N ' HD23 ' A' ' 40' ' ' LEU . 16.0 mt -143.77 138.1 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.2 mm? -63.3 136.01 57.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.575 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.2 tp -159.2 97.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' GLU . 21.6 pt-20 -90.82 -40.97 11.47 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.481 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 17.5 m120 -42.84 87.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.983 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' GLU . 35.1 tt0 -32.46 -44.57 0.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.012 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.2 m-85 -60.61 -69.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.52 -34.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.382 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -80.09 -31.76 39.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.984 0.421 . . . . 0.0 110.308 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 47' ' ' PHE . 19.3 t30 -54.94 -45.73 74.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.928 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -47.23 7.88 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.648 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 52' ' ' LEU . 36.3 mt -49.1 -53.13 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.471 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -74.19 -10.79 59.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.845 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.6 -30.58 63.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -148.95 61.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.176 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 58' ' ' ILE . 39.6 t -87.73 45.11 1.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.38 41.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.352 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 60' ' ' HIS . 22.2 mm -65.04 -22.81 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.47 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.4 tt -61.75 -1.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.312 0.577 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.507 ' H ' ' C ' ' A' ' 58' ' ' ILE . 5.3 m170 -79.49 -35.05 40.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.095 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.768 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -114.37 -43.29 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.948 0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.24 -32.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -3.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.283 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.713 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.4 t -102.75 96.78 7.08 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.003 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER 154.45 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.895 0.747 . . . . 0.0 109.069 179.435 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.488 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 10.0 p90 -173.85 78.34 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 4.1 pm0 -36.12 130.1 0.66 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.897 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.59 -9.55 1.65 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.7 mm -50.68 110.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.369 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 71' ' ' SER . 19.3 mmtp -81.38 -37.08 28.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 17.3 m -175.62 177.12 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.676 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.65 146.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.685 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 8.1 t-20 -173.0 160.74 4.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.675 0.75 . . . . 0.0 112.222 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.705 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.56 148.32 52.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.202 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.511 HG22 HD21 ' A' ' 40' ' ' LEU . 18.8 m -144.84 -152.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.117 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -111.76 162.31 15.38 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 111.025 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.28 -72.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.698 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -48.11 -51.13 25.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.68 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -51.45 -62.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.807 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.545 ' CD2' HD22 ' A' ' 40' ' ' LEU . 5.7 t80 -42.54 -42.7 3.44 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.4 t80 -56.65 -65.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.726 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -37.85 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.375 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t30 -78.61 -52.98 7.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.011 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 84' ' ' LEU . 1.3 pp -77.01 -20.32 56.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.85 -21.62 62.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.656 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.9 pm0 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.85 0.357 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.9 tp-100 -40.52 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 5' ' ' ASN . 1.8 p90 -45.47 -44.91 12.71 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.556 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 14.6 t30 -60.77 -27.83 68.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 0.0 109.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -54.13 -43.75 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.438 . . . . 0.0 109.864 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 15.1 ttpp -67.58 -43.07 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.397 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 18.0 p -62.75 -20.05 64.57 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.174 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -75.42 -30.08 59.93 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.704 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.7 mt -66.82 -43.93 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLU . 14.4 ttmt -39.62 -52.03 2.24 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -42.57 65.38 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -67.15 -62.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.824 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -89.66 29.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.916 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.0 tt0 -52.0 -59.75 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.034 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -78.05 4.33 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.034 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -132.41 39.84 3.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.335 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.706 HG23 ' N ' ' A' ' 20' ' ' GLY . 13.6 tt -75.42 -59.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.706 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -28.98 -62.17 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -44.38 -47.58 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 109.999 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.6 t-80 -66.26 -38.43 87.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.69 -16.54 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.668 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 tptt -100.26 -50.3 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -87.33 -81.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.162 0.506 . . . . 0.0 111.829 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 29' ' ' ILE . 69.5 mt -47.54 -33.4 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.078 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 29' ' ' ILE . 46.5 tttp -37.93 -61.7 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.304 . . . . 0.0 111.283 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 66.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.679 HD11 ' HB3' ' A' ' 42' ' ' LEU . 3.7 tp -167.63 165.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -176.82 43.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.49 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.18 109.61 10.56 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -146.03 135.98 23.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.631 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.9 m -132.34 131.54 60.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.367 0.603 . . . . 0.0 112.042 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 66' ' ' TYR . 3.3 t80 -128.16 132.94 48.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.941 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 177.16 -20.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.799 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.634 ' C ' ' H ' ' A' ' 38' ' ' VAL . 7.8 p-10 -119.4 50.29 1.26 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.1 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER 54.27 -2.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.752 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.634 ' H ' ' C ' ' A' ' 36' ' ' ASN . 86.9 t -119.63 153.31 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 38' ' ' VAL . 5.1 mp -126.38 125.58 42.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.431 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.85 145.01 44.89 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.656 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -139.9 135.63 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.679 ' HB3' HD11 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -61.86 135.45 57.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.158 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.8 tp -154.41 105.19 2.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 46' ' ' GLU . 9.6 pt-20 -90.2 -54.15 4.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.261 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 m-80 -38.06 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 110.796 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 44' ' ' GLU . 8.7 tp10 -40.71 -41.14 1.46 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' ASN . 79.0 t80 -61.31 -67.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.21 -29.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.601 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -85.29 -33.9 22.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 109.956 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.5 t-20 -52.59 -45.89 66.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.363 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.41 -46.32 8.43 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.981 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 52' ' ' LEU . 30.5 mt -48.94 -56.26 9.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.249 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -69.53 -12.81 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.701 -179.603 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -72.39 -28.27 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -162.17 72.06 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 58' ' ' ILE . 3.4 p -100.31 55.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -70.6 41.54 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.294 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 58' ' ' ILE . 86.3 mt -68.96 -7.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -77.73 0.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.42 0.629 . . . . 0.0 109.544 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -80.79 -22.72 39.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.926 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -126.82 -37.37 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.716 0.294 . . . . 0.0 110.511 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.17 -32.49 48.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -69.1 31.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.445 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 62' ' ' ALA . 23.4 p -123.16 -37.55 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.319 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -90.01 -29.74 18.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 60.2 m-85 -118.98 50.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.042 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' TYR . 4.0 pt-20 -31.39 110.81 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.109 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.537 ' O ' ' ND2' ' A' ' 37' ' ' ASN . . . 122.31 3.24 9.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -46.5 125.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.081 0.467 . . . . 0.0 110.994 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -86.61 -34.46 19.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.652 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m 174.04 -171.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.322 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -147.2 144.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.941 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 19.6 t-20 -159.83 156.74 27.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.451 0.643 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.663 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.93 148.27 48.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.497 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.1 m -145.96 -152.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.577 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 26.6 t-20 -112.47 172.27 7.02 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.778 0.799 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.577 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 75.3 mm-40 -38.3 -73.14 0.05 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.81 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -50.6 -51.8 45.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.115 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -51.43 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.156 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE2' HD23 ' A' ' 84' ' ' LEU . 33.0 t80 -43.06 -44.29 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -56.86 -66.83 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.89 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' PHE . 74.5 t80 -31.8 -35.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . 26.0 t-20 -80.01 -54.01 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.025 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.945 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -71.94 -16.33 62.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.03 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.88 -4.06 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.47 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.7 tttm . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.986 0.422 . . . . 0.0 110.425 -179.712 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' ALA . 56.7 mm-40 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.685 0.278 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.613 ' NE2' ' N ' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -44.37 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.706 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.613 ' N ' ' NE2' ' A' ' 3' ' ' GLN . 1.5 t80 -43.22 -51.0 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -59.34 -25.3 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -83.6 -62.14 1.66 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.06 -48.38 80.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.05 -19.83 21.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.598 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -69.15 -37.82 78.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.6 mt -61.95 -46.99 86.89 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 16' ' ' GLU . 5.8 mmtp -38.15 -56.44 1.18 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -48.85 -42.33 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 109.75 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.3 t60 -69.91 -64.37 0.9 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.299 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -84.94 26.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.718 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.5 tm-20 -52.14 -49.05 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -94.73 -14.59 24.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -105.95 34.08 3.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 20' ' ' GLY . 14.8 tt -74.98 -55.14 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.662 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -31.22 -43.58 0.1 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 41.8 t80 -58.77 -50.78 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 44.1 t-80 -59.84 -56.25 24.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.465 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.41 -14.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.065 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -68.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 48' ' ' ALA . 61.7 m-85 -68.1 -70.44 0.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 111.359 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' ASP . 25.6 mt -64.29 -61.62 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.699 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 22' ' ' HIS . 41.9 tttm 60.18 -72.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.23 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ILE . 24.8 t0 -155.41 129.03 8.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.772 HG22 ' H ' ' A' ' 31' ' ' ARG . 33.6 mm -108.61 167.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.218 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.577 ' N ' HG22 ' A' ' 29' ' ' ILE . 12.7 t-20 -139.75 3.79 2.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.772 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.2 mmt180 -134.37 92.32 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -144.6 125.81 14.68 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.48 144.03 33.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.214 0.53 . . . . 0.0 111.964 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 2.9 t80 -121.67 56.59 1.06 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.592 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 41.1 mttm -121.98 111.08 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 9.9 t30 139.66 -56.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' ' O ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER 160.33 -13.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.424 179.005 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG12 ' H ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -119.05 179.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.283 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.565 ' H ' HG12 ' A' ' 38' ' ' VAL . 4.6 mp -125.08 123.1 39.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.991 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -117.92 143.18 46.57 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mt -147.09 142.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.939 0.399 . . . . 0.0 111.153 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' CB ' ' A' ' 31' ' ' ARG . 4.1 mm? -70.07 140.92 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -163.93 77.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.83 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.55 -44.69 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.823 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -38.76 101.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 13.2 pt-20 -59.39 -28.63 67.08 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.014 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.6 m-85 -74.19 -73.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -41.53 -34.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.479 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.08 -36.46 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 47' ' ' PHE . 40.9 t30 -54.59 -58.55 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.429 0.633 . . . . 0.0 110.422 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.72 -47.65 62.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.317 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.0 mt -48.74 -52.34 24.22 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.698 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -76.06 -11.72 59.99 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.968 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.63 -25.92 59.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -166.64 60.18 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 57' ' ' GLU . 1.8 t -77.17 -97.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.905 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.6 mt-10 77.17 22.4 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.977 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 58' ' ' ILE . 4.6 mm -47.12 -1.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.222 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.688 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.6 tt -86.13 -25.31 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.905 ' ND1' ' O ' ' A' ' 57' ' ' GLU . 40.0 p-80 -56.97 -11.42 1.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.548 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.883 HD11 ' CE1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -124.19 -49.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.867 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 11.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 61' ' ' LEU . 9.6 pt-20 -90.25 27.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.777 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.5 t -120.54 -64.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD21 ' HB1' ' A' ' 6' ' ' ALA . 1.8 mm? -43.96 -29.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.521 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 6.0 m-85 -118.45 154.28 32.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.358 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -47.16 -14.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' TYR . . . 143.49 90.08 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 39' ' ' LEU . 4.8 mm -44.96 154.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.363 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' HG22 ' A' ' 69' ' ' ILE . 3.3 tmtm? -88.47 -40.07 13.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.119 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -179.54 -178.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.566 ' N ' ' OG ' ' A' ' 71' ' ' SER . 22.5 t -148.46 146.49 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.72 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 12.4 t-20 -164.94 155.02 13.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.365 0.602 . . . . 0.0 111.879 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -127.3 150.89 49.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.286 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 m -150.14 -153.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.59 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.8 t-20 -121.86 173.39 7.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.817 0.818 . . . . 0.0 111.527 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.59 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 25.6 mt-10 -37.16 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.338 -178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.26 -50.29 30.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.259 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.27 -65.98 0.47 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.551 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 1.8 t80 -48.32 -36.19 13.82 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -24.22 66.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.695 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -80.04 -28.09 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.137 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.19 24.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.4 mm? -93.34 -71.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -67.64 -34.57 77.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.687 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 85' ' ' ALA . 43.0 tptt . . . . . 0 N--CA 1.464 0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.4 pt-20 . . . . . 0 C--O 1.227 -0.125 0 CA-C-O 120.881 0.372 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 6' ' ' ALA . 42.3 tt0 -44.83 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.277 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -43.64 -46.63 7.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.55 -32.0 68.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.21 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -70.01 -54.75 11.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.475 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -43.4 80.33 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.225 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -60.38 -55.7 30.38 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 t -55.55 -27.21 47.66 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.429 -0.908 . . . . 0.0 108.596 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.3 85.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.253 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.7 mt -62.33 -44.97 95.26 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.831 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ttpp -36.42 -59.89 0.62 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -48.59 -40.43 27.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.104 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.9 t-80 -68.63 -62.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.501 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.04 25.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.065 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -50.07 -26.11 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.128 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -95.91 -39.7 9.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.11 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.89 35.83 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.919 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.1 tt -52.0 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.945 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.919 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -30.24 -57.82 0.23 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' GLY . 81.3 t80 -40.88 -49.76 3.21 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' ILE . 41.5 t-80 -61.9 -57.0 13.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.945 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -57.04 -5.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.067 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -93.9 -74.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.684 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.3 m-85 -101.94 -62.33 1.27 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.298 -178.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 mm -42.02 -15.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.52 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -82.35 -75.9 0.28 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.668 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -38.65 -66.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 30' ' ' ASN . 96.7 mt -43.64 163.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.586 ' N ' HG22 ' A' ' 29' ' ' ILE . 64.6 t30 -172.66 47.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.627 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -131.97 112.89 12.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.488 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -151.4 147.77 27.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.791 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -149.84 143.19 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 4.3 p90 -136.15 62.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.742 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 11.6 tptp -121.32 71.71 0.97 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.935 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 3.0 m120 179.47 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.474 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 4.1 p30 154.4 -17.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.902 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.745 HG12 ' N ' ' A' ' 39' ' ' LEU . 46.1 t -119.85 176.17 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.745 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.2 mp -125.92 123.88 39.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.366 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.68 145.96 45.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.793 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.24 134.84 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.283 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.0 mm? -67.11 132.38 47.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -160.5 98.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.164 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -89.98 -29.53 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -44.29 114.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.15 -33.81 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.028 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 50' ' ' ASN . 7.6 m-85 -75.55 -75.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 110.344 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' PHE . . . -37.24 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.2 ttp85 -85.89 -33.77 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.4 t-20 -55.25 -41.79 72.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.22 0.533 . . . . 0.0 110.884 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.05 -48.92 6.89 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.431 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 52' ' ' LEU . 19.2 mt -45.92 -56.4 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.2 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -71.96 -9.8 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.216 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -74.97 -31.36 61.44 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -166.82 95.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.564 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 7.6 m -148.99 78.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.374 . . . . 0.0 111.198 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 57' ' ' GLU . 1.6 pm0 -79.41 50.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.022 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 mm -53.69 -2.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.024 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.539 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.4 tt -89.95 1.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.413 0.625 . . . . 0.0 109.655 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -82.78 -23.34 33.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.155 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.59 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.65 -38.04 2.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.228 0.537 . . . . 0.0 109.781 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 69' ' ' ILE . . . -56.83 4.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.333 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.0 mm-40 -79.53 -94.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.363 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 63' ' ' GLU . 22.1 t -3.08 -66.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.402 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 63' ' ' GLU . 35.3 tp -40.74 -33.33 0.28 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.572 0.225 . . . . 0.0 110.871 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' GLU . 4.8 m-85 -117.73 -174.33 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.087 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.86 -27.19 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.15 83.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.526 HD12 ' CD1' ' A' ' 39' ' ' LEU . 12.6 mm -44.54 148.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.674 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -85.61 -38.26 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.297 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -178.42 -179.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.0 t -147.69 146.09 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.747 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -167.84 162.6 13.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.332 0.587 . . . . 0.0 111.809 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.53 148.37 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.699 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -168.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.822 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -87.17 160.61 18.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.225 0.536 . . . . 0.0 111.428 -179.403 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' CA ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -38.61 -70.33 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.678 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . 0.477 ' H ' ' CD ' ' A' ' 78' ' ' GLN . 18.8 mp0 -45.94 -54.62 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.681 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.94 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.85 -46.04 3.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 85' ' ' ALA . 3.5 t80 -54.67 -64.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.918 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' PHE . 50.1 t80 -32.99 -36.04 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 6.9 t30 -74.61 -50.76 16.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.939 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 81' ' ' PHE . 44.1 tp -75.5 -19.03 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.36 -40.59 15.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 tttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 -179.762 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 6' ' ' ALA . 46.1 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.81 0.338 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 6' ' ' ALA . 62.5 tt0 -39.52 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -44.91 -45.71 10.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -67.95 -21.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.282 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -85.36 -65.62 0.99 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.732 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.26 -39.64 60.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -74.01 -42.61 60.08 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.721 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -61.22 -23.81 65.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.462 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.93 -46.49 74.63 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.773 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 12' ' ' LYS . 51.1 mt -49.44 -57.54 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 11' ' ' LEU . 31.6 mtpt -31.13 -49.15 0.13 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.946 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 10.5 mmmt -49.65 -48.15 49.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.086 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 16' ' ' GLU . 13.5 t-80 -91.72 -41.77 10.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.514 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.31 20.62 0.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 14' ' ' HIS . 67.7 tt0 -80.45 -46.3 16.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.927 0.394 . . . . 0.0 110.282 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -76.91 -14.06 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.272 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -96.9 17.42 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.01 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.6 tt -62.03 1.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 18' ' ' THR . . . -92.04 -66.86 1.12 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.432 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 56.6 t80 -48.65 -32.22 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' LYS . 16.6 t-80 -66.2 -70.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.398 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.69 -29.97 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.631 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -84.69 -75.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.77 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.75 ' CD2' ' HB2' ' A' ' 48' ' ' ALA . 52.6 m-85 -75.68 -72.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.254 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' ASP . 11.7 mm -53.42 -55.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.625 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' HIS . 58.9 tttm 46.83 -91.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.348 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -89.79 -91.11 0.14 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.082 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.629 ' O ' ' O ' ' A' ' 28' ' ' ASP . 38.7 mm 43.61 116.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.001 0.429 . . . . 0.0 111.099 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -140.53 36.8 1.84 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.37 113.97 20.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.185 0.517 . . . . 0.0 110.206 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 16.5 p90 -161.35 153.2 19.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.04 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.1 m -153.21 152.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.116 0.484 . . . . 0.0 111.481 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 10.9 t80 -131.21 51.2 2.16 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.742 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -119.65 55.21 0.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -173.05 38.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 53.85 11.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.378 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 39' ' ' LEU . 43.9 t -149.79 164.51 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.233 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.585 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.1 mp -117.64 120.0 36.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.084 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' CG2' ' A' ' 75' ' ' VAL . 2.2 mt -119.69 140.13 51.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.033 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.1 mt -133.75 132.07 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.7 mm? -57.8 126.22 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.741 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -161.91 87.94 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.597 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 5.8 mp0 -78.44 -26.05 46.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -48.1 122.45 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.4 tp10 -71.08 -52.61 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.502 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.15 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.986 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.75 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -47.9 -60.93 2.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -49.98 -43.62 50.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -47.84 -56.85 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.668 0.746 . . . . 0.0 110.786 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -39.71 68.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.677 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.73 -48.0 82.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.158 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -74.58 -19.42 60.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.92 -25.68 65.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.624 0.726 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -169.47 107.97 0.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.72 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -154.45 82.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.651 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.08 50.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.651 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mm -62.18 -15.11 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.296 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.478 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.1 tt -73.68 3.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.384 0.612 . . . . 0.0 109.356 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.42 -45.39 19.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.48 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.957 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -97.16 -36.57 10.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.774 -179.242 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.67 -35.91 75.39 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.781 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' A' ' 59' ' ' ILE . 11.9 pt-20 -66.31 34.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 62' ' ' ALA . 22.8 t -122.28 -27.72 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.75 -32.53 17.87 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.613 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 37.4 p90 -166.96 107.17 0.62 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 69' ' ' ILE . 84.2 mt-10 -46.83 -11.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.085 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -52.19 -4.3 0.12 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.557 ' H ' ' C ' ' A' ' 67' ' ' GLU . 4.8 mm -76.07 103.0 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 111.138 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -83.41 -32.6 26.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.052 0.453 . . . . 0.0 109.806 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.9 t 177.34 -173.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.922 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.538 ' N ' ' OG ' ' A' ' 71' ' ' SER . 15.4 t -147.43 146.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.367 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -166.65 156.37 11.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.585 0.707 . . . . 0.0 111.802 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -123.44 141.61 51.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.381 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.433 ' CG2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -154.32 -174.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.43 . . . . 0.0 110.771 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.89 157.16 27.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.04 -31.18 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.659 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.3 -52.88 16.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.061 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -62.73 -49.41 75.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.549 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -52.47 -36.96 55.99 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' A' ' 85' ' ' ALA . 27.3 t80 -62.84 -49.12 76.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.26 -28.43 53.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.471 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -78.19 -47.62 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.742 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 84' ' ' LEU . 2.2 tp -83.56 -5.09 59.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -106.14 13.8 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.932 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.167 0 CA-C-O 120.832 0.348 . . . . 0.0 110.506 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 pt-20 . . . . . 0 C--O 1.227 -0.121 0 CA-C-O 120.817 0.341 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 15.0 tt0 -36.93 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.211 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -51.66 -36.57 46.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.396 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -59.84 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 3' ' ' GLN . . . -68.71 -55.81 10.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.151 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.851 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -59.85 -36.83 77.67 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.069 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 11' ' ' LEU . 19.5 ttpp -55.32 -57.45 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.986 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -49.5 -40.51 37.84 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 61' ' ' LEU . 1.1 mt -53.39 -33.25 53.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.351 -0.539 . . . . 0.0 109.75 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 11.7 mt -75.95 -28.64 58.0 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.598 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -54.8 -63.7 1.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.189 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -53.24 -39.26 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' HD21 ' A' ' 61' ' ' LEU . 4.0 t-80 -65.32 -68.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.185 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.461 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.8 m-85 -73.33 19.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.493 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.01 2.12 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 15' ' ' TYR . 22.8 mtmm -130.23 11.53 5.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.642 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.04 44.36 2.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.747 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -58.23 -75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.172 -179.546 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -23.0 -64.9 0.03 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -40.75 -46.54 2.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.858 0.361 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 19' ' ' ILE . 36.9 t-80 -58.2 -60.19 4.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.219 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.94 -5.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 4.3 tptp -84.7 -71.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.671 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.485 ' CD2' ' CG ' ' A' ' 45' ' ' ASN . 24.5 m-85 -107.52 -67.81 0.93 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . 73.8 mt -41.21 -43.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 35.83 -94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.63 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ILE . 22.2 p-10 -147.53 120.69 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 30' ' ' ASN . 3.4 mt -130.84 168.45 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.913 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.461 ' H ' HG22 ' A' ' 29' ' ' ILE . 14.6 m120 -153.63 39.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.617 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -135.68 109.87 8.34 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -147.17 167.72 23.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.152 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.6 m -141.37 116.02 5.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 111.377 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -127.24 131.48 50.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.387 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 33.8 mtmm -129.9 -52.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.291 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.3 t-20 163.37 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' C ' HG23 ' A' ' 38' ' ' VAL . 52.5 t30 -80.26 -49.87 11.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.415 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG12 ' N ' ' A' ' 39' ' ' LEU . 56.4 t -152.35 166.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.572 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.65 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.1 mp -125.02 126.28 45.17 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.295 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.39 147.24 43.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.6 mt -140.86 139.46 34.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.157 0.503 . . . . 0.0 111.864 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 4.1 mm? -58.95 129.18 40.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' VAL . 18.3 tp -160.15 114.2 2.21 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.77 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -88.6 -69.92 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 25' ' ' TYR . 11.4 m-80 -30.89 89.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 21.7 tt0 -38.01 -38.82 0.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' ASN . 41.1 m-85 -63.46 -66.83 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -36.41 -31.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.543 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 2.2 mtm180 -82.65 -31.94 28.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.485 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 47' ' ' PHE . 44.8 t-20 -70.77 -22.07 62.43 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.256 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.74 -60.01 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.155 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 56' ' ' SER . 56.6 mt -50.28 -35.64 28.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.839 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -95.53 -15.33 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 23.6 t0 -91.52 -26.73 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -157.24 95.97 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.304 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.585 ' OG ' HD11 ' A' ' 58' ' ' ILE . 5.7 t -161.88 -60.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mt-10 69.89 52.18 0.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.636 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.585 HD11 ' OG ' ' A' ' 56' ' ' SER . 27.5 mm -61.4 -0.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.177 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.0 tt -88.04 -7.36 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -76.56 -23.73 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.813 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.979 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.16 -41.09 4.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.55 -20.16 30.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.929 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -5.09 30.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 -178.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.4 m -99.43 -34.95 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.282 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -89.49 -34.03 16.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.092 0.472 . . . . 0.0 109.807 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -119.2 109.5 15.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -83.83 121.55 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 15.71 18.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.59 122.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -85.88 -34.02 21.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.938 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.614 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.5 t 174.1 -170.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.216 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.614 ' N ' ' OG ' ' A' ' 71' ' ' SER . 25.6 t -143.45 140.56 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.96 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -141.43 157.87 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.57 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.694 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -147.94 139.45 23.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.922 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' LEU . 21.7 m -149.6 -169.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.564 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.746 HD22 ' H ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -78.68 160.22 27.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.837 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -52.04 -30.59 26.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.108 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.52 -56.7 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.491 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASP . . . . . 0.746 ' H ' HD22 ' A' ' 76' ' ' ASN . 52.7 t0 -55.15 -50.36 69.49 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.947 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.5 t80 -52.66 -43.14 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.949 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.49 -13.29 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -74.05 -39.19 63.67 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.94 -33.25 71.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.974 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.71 -17.49 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.752 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.19 -30.29 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.667 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.787 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' ALA . 24.4 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.814 0.34 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' ALA . 40.7 tt0 -45.89 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -41.98 -52.09 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.235 0.541 . . . . 0.0 109.724 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -28.82 64.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.539 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.955 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -80.34 -58.01 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.106 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.2 t80 -60.8 -47.77 84.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.85 -48.45 78.98 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.11 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.2 m -54.5 -29.84 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.911 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -61.7 -46.59 89.03 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLU . 32.8 ttpt -40.26 -57.18 1.79 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.73 -42.77 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 0.0 109.788 178.371 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.04 -58.83 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.275 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -95.38 34.02 1.5 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.4 tt0 -63.92 -57.64 9.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.632 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -83.31 9.54 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.598 HG22 ' HB3' ' A' ' 21' ' ' PHE . 5.0 m -96.77 52.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -59.91 -83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -19.02 -45.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.397 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.2 t80 -68.66 -42.0 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.366 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.758 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.7 t-80 -70.07 -16.57 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.55 -11.71 31.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.977 0.418 . . . . 0.0 110.122 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -86.59 -69.85 0.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.245 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.656 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 13.3 m-85 -119.81 -63.46 1.37 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mp -40.41 -15.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -178.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 25' ' ' TYR . 59.5 tttp -11.31 -61.17 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.786 0.327 . . . . 0.0 111.758 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ILE . 16.8 t70 -168.85 96.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 mt -77.89 171.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -145.49 6.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.212 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CB ' HD23 ' A' ' 42' ' ' LEU . 22.6 mmt180 -131.46 98.83 4.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -151.67 129.27 11.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -142.59 155.16 18.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.675 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.684 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.13 122.78 40.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.998 179.004 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -119.07 -70.23 0.8 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.44 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASN . . . . . 0.513 ' O ' HG23 ' A' ' 38' ' ' VAL . 9.3 t-20 -119.72 82.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.752 0.31 . . . . 0.0 110.936 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 49.4 13.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.53 ' C ' HD12 ' A' ' 39' ' ' LEU . 78.5 t -119.65 143.13 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 38' ' ' VAL . 9.2 mp -121.19 120.75 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.314 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.35 143.54 46.55 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.3 mt -140.81 135.44 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.056 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 80' ' ' PHE . 3.9 mm? -60.87 137.61 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.8 tp -163.34 97.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 179.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.46 -33.73 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.656 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -43.2 124.07 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.55 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' ASN . 47.3 m-85 -66.28 -67.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.498 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -39.0 -39.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -76.65 -36.86 57.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' PHE . 48.9 t-20 -50.1 -48.25 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.393 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -41.91 11.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.887 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 52' ' ' LEU . 23.7 mt -51.2 -60.81 2.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.701 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -66.46 -13.77 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.788 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -71.12 -27.92 63.93 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -167.0 98.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 58' ' ' ILE . 24.8 p -132.73 67.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.433 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.563 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 14.4 mt-10 -71.26 41.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.772 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 58' ' ' ILE . 78.2 mt -64.18 -5.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.063 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 63' ' ' GLU . 4.6 tt -90.75 -8.66 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.337 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' HIS . . . . . 0.578 ' CE1' HD21 ' A' ' 61' ' ' LEU . 1.8 p-80 -85.61 -2.67 58.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.75 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.739 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.28 -45.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.844 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.87 -23.12 63.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.001 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' ILE . 9.1 pt-20 -63.58 33.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.63 -178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.595 ' H ' ' C ' ' A' ' 62' ' ' ALA . 89.3 p -126.17 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.642 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.955 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -43.27 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -119.36 165.19 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.68 -22.66 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.39 91.6 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 39' ' ' LEU . 4.5 mm -49.86 144.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.425 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -81.07 -40.19 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.41 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -175.61 178.16 1.63 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -148.87 148.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.537 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -172.29 160.64 5.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.61 0.719 . . . . 0.0 112.187 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -128.22 146.86 50.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.026 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 43' ' ' LEU . 17.0 m -146.34 -157.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.275 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' GLU . 1.2 m-20 -105.51 161.79 14.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.009 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 14.0 mm-40 -35.52 -70.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.625 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -49.58 -49.97 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 111.059 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -63.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.57 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CD1' HD21 ' A' ' 42' ' ' LEU . 5.9 t80 -45.45 -44.46 12.28 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.172 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.516 ' O ' ' N ' ' A' ' 83' ' ' ASN . 53.2 t80 -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.953 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' PHE . 20.2 t80 -36.08 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.867 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.5 t-20 -75.67 -51.62 12.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.798 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.411 ' CD2' ' CZ ' ' A' ' 80' ' ' PHE . 2.0 pp -83.75 -18.76 36.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 81' ' ' PHE . . . -62.39 -3.18 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 84' ' ' LEU . 2.7 tppp? . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.52 -18.91 62.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.524 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 tt0 -44.37 -72.6 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -48.68 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.456 ' O ' ' OG ' ' A' ' 9' ' ' SER . 48.7 t-20 -59.52 -30.01 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.584 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.7 -58.55 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -63.41 -47.22 82.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.714 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.62 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 26.3 ttpt -62.71 -51.69 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.54 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 62.8 m -56.79 -27.38 59.67 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.286 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -59.92 -43.79 94.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.1 mt -57.29 -47.28 81.88 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 32.2 ttpt -35.99 -62.15 0.45 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.879 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -40.53 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.131 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.3 t-80 -69.13 -57.64 5.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.3 m-85 -92.72 31.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.687 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LYS . 15.8 pt-20 -72.4 21.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.76 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 15' ' ' TYR . 42.0 mtmt -150.23 -25.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.407 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.09 35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.317 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.011 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.0 tt -44.63 -74.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.115 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 1.011 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.69 -49.35 0.05 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.871 -0.491 . . . . 0.0 111.871 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -53.71 -52.46 60.01 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.585 ' N ' ' O ' ' A' ' 19' ' ' ILE . 54.9 t-80 -55.78 -58.69 6.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.208 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.95 -7.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 21.2 tttp -88.34 -77.1 0.37 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.705 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' O ' ' N ' ' A' ' 27' ' ' LYS . 29.9 m-85 -111.49 -70.05 0.83 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.589 ' O ' ' C ' ' A' ' 27' ' ' LYS . 6.7 mm -36.48 -25.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.043 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.0 ttmt 7.43 -102.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.699 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -140.73 81.23 1.79 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.764 0.316 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -76.58 -162.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.89 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.524 ' H ' HG22 ' A' ' 29' ' ' ILE . 59.0 t30 -171.2 22.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.575 ' CB ' HD23 ' A' ' 42' ' ' LEU . 21.0 mmt180 -129.95 96.92 4.33 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.298 0.571 . . . . 0.0 110.675 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -155.4 141.0 17.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.89 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.23 153.77 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.509 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' A' ' 35' ' ' LYS . 3.8 t80 -129.08 131.24 47.26 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.509 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 1.4 mtpp 173.6 45.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 38' ' ' VAL . 6.6 p30 179.11 41.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.268 179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 58.56 -6.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.654 ' H ' ' C ' ' A' ' 36' ' ' ASN . 85.5 t -119.71 161.03 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 38' ' ' VAL . 8.0 mp -130.04 132.21 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.625 HD21 HG22 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -118.75 142.97 47.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 40' ' ' LEU . 4.7 mp -140.98 138.53 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.48 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.575 HD23 ' CB ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -57.08 136.55 56.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.063 -179.286 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.9 tp -173.45 94.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.127 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.75 -40.49 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.513 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 64.5 m-80 -41.05 116.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -60.81 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 50' ' ' ASN . 39.0 m-85 -62.46 -67.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.518 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -37.77 -39.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -75.87 -34.91 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 47' ' ' PHE . 46.8 t30 -56.5 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.707 0.765 . . . . 0.0 110.146 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -50.32 73.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.835 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 52' ' ' LEU . 31.7 mt -50.38 -51.26 47.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 3.9 p30 -77.37 -15.64 59.28 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.682 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 73.0 m-20 -74.06 -25.79 60.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.27 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 179.0 92.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.369 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -129.67 -71.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.515 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.531 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 3.1 mt-10 72.28 50.07 0.21 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 58' ' ' ILE . 38.8 mm -57.58 0.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.862 0.363 . . . . 0.0 110.453 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' A' ' 57' ' ' GLU . 2.8 tt -86.42 -28.28 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' OE1' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -51.53 -17.4 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.51 178.782 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.918 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.96 -42.39 2.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.467 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.21 1.55 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.15 18.8 5.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.576 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -114.96 -31.44 6.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' A' ' 3' ' ' GLN . 39.7 tp -79.28 -26.33 42.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 15.6 m-85 -119.07 168.46 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.458 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.0 mp0 -49.43 -49.41 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.53 89.15 0.07 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.422 HD12 HD13 ' A' ' 39' ' ' LEU . 4.6 mm -48.52 150.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.736 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -92.97 -35.23 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p 177.82 -176.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.447 . . . . 0.0 110.844 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -150.78 150.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.837 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -157.5 151.18 24.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.257 0.551 . . . . 0.0 111.714 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -126.77 147.67 49.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.471 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.625 HG22 HD21 ' A' ' 40' ' ' LEU . 9.6 m -146.64 -161.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -97.42 159.6 14.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.568 ' HA ' HD11 ' A' ' 42' ' ' LEU . 25.0 tt0 -48.29 -36.64 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.312 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.39 -53.23 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.327 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.37 -50.84 72.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.48 . . . . 0.0 110.253 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CD2' HD21 ' A' ' 42' ' ' LEU . 7.2 t80 -50.69 -41.26 55.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.03 -35.59 77.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.071 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.66 -27.67 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CG ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -67.95 -43.43 79.08 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.565 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -84.33 -16.7 42.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.861 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.38 -23.59 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -43.64 -46.32 7.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 87' ' ' LEU . 9.5 mp -45.41 129.77 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.34 -133.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -80.42 -31.1 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.424 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -78.29 169.37 18.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.4 m -168.1 -120.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.405 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -74.74 64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.363 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.89 -9.5 58.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -69.55 136.19 51.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.866 ' H ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -130.86 102.09 5.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -118.53 -173.2 2.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' C ' ' H ' ' A' ' 99' ' ' SER . 42.6 tt0 -154.79 140.32 17.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.543 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 5.8 t30 -71.54 40.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 97' ' ' GLN . 55.8 p -171.16 56.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.737 0 CA-C-O 117.914 -1.492 . . . . 0.0 110.925 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mtt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -87.22 -41.74 13.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -36.97 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.587 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 74.8 t80 -63.98 -47.5 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.52 -37.01 74.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.712 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -39.91 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -34.49 78.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -64.07 -49.02 73.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.326 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t -59.81 -24.9 64.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -65.54 -39.47 91.79 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.749 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.5 mt -59.17 -42.04 89.84 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLU . 18.5 ttpp -37.2 -56.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.92 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.38 -41.49 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -67.3 -63.21 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.73 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.35 26.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.3 tm-20 -50.35 -55.75 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.174 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -78.95 2.1 21.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.281 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 18' ' ' THR . 42.7 m -123.26 55.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.505 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.789 HG23 ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -80.1 -62.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.325 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.789 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.07 -62.27 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -43.15 -50.49 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' O ' ' A' ' 27' ' ' LYS . 58.4 t-80 -60.77 -49.03 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.243 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.81 -2.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.751 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' HIS . 17.0 tptt -96.11 -74.59 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.577 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 27' ' ' LYS . 32.9 m-85 -101.76 -75.8 0.59 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.876 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 27' ' ' LYS . 87.0 mt -38.03 -24.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.974 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 26' ' ' ILE . 71.4 mttt 9.39 -109.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.326 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 29' ' ' ILE . 24.3 t0 -151.44 66.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.079 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.7 mt -59.39 -138.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.54 ' H ' HG22 ' A' ' 29' ' ' ILE . 4.5 p30 -174.99 33.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.39 93.78 2.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.399 0.618 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 4' ' ' PHE . 32.3 p90 -148.83 134.84 19.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.017 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 33' ' ' VAL . 13.6 m -127.41 128.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 111.472 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 9.1 p90 -129.9 53.19 1.94 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.109 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 16.8 ttmt -119.04 45.11 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 38' ' ' VAL . 57.3 m-80 -159.73 24.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' GLY . 4.2 t-20 75.74 -12.45 0.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.316 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.694 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.6 t -119.64 168.82 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.016 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.694 HD12 ' C ' ' A' ' 38' ' ' VAL . 5.9 mp -129.54 124.18 33.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.916 0.389 . . . . 0.0 111.135 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 148.13 43.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -142.47 138.21 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.8 mm? -63.15 133.26 54.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.23 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.7 tp -153.5 109.54 3.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.355 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 98.3 mt-10 -90.52 -57.61 2.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.518 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 14.3 m-80 -37.08 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.004 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.6 tt0 -40.84 -26.98 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 50' ' ' ASN . 23.0 t80 -70.5 -71.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 0.0 110.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.89 -30.83 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.387 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -81.72 -31.82 31.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.144 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t30 -56.25 -44.9 80.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.2 -50.05 6.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.607 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -47.72 -53.64 14.54 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.256 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -72.05 -10.76 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.799 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -73.93 -30.48 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -158.93 80.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.981 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 58' ' ' ILE . 7.6 t -107.69 58.17 0.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 9.9 mp0 -72.99 31.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.676 ' O ' HD12 ' A' ' 61' ' ' LEU . 86.0 mt -56.65 -19.56 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -67.13 -0.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.482 0.658 . . . . 0.0 109.333 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.468 ' H ' ' C ' ' A' ' 58' ' ' ILE . 18.9 m170 -76.06 -25.05 55.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.248 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.849 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.61 -40.11 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -48.83 -30.61 5.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.1 33.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.38 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 62' ' ' ALA . 11.4 m -130.17 -45.93 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.493 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -60.27 -23.84 64.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 27.0 p90 177.97 111.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.926 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.69 164.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.698 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 110.6 -0.36 29.16 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.8 mm -65.91 127.65 27.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.394 . . . . 0.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -99.92 -30.76 11.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.0 t 173.65 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.208 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.606 ' N ' ' OG ' ' A' ' 71' ' ' SER . 20.0 t -147.32 145.66 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -163.61 157.78 19.82 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.723 0.773 . . . . 0.0 112.058 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.736 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.42 143.83 35.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.807 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 43' ' ' LEU . 31.1 m -148.12 -161.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.104 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.73 161.89 13.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.979 0.419 . . . . 0.0 111.018 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -36.88 -70.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.573 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -48.94 -52.99 21.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.628 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.19 -65.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 4.4 t80 -42.19 -47.97 4.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.5 t80 -56.42 -66.56 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.214 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' C ' ' O ' ' A' ' 81' ' ' PHE . 49.0 t80 -29.28 -40.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.4 m-80 -74.03 -49.64 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.076 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 81' ' ' PHE . 41.5 tp -74.78 -18.38 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -74.58 -19.18 60.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -63.69 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.9 mt -40.43 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.734 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -88.96 -173.01 3.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 62.66 88.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.689 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.521 ' CG ' ' H ' ' A' ' 91' ' ' SER . 8.3 t-20 59.81 -169.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.521 ' H ' ' CG ' ' A' ' 90' ' ' ASN . 15.1 p -156.92 61.87 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.6 mtm-85 48.81 57.02 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.673 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -159.46 107.94 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 94' ' ' THR . 6.4 t -85.89 91.52 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.561 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 95' ' ' LEU . 9.7 mp -55.97 -67.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -158.78 111.6 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.469 ' O ' ' O ' ' A' ' 98' ' ' ASN . 15.3 tm0? -163.71 -7.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' A' ' 97' ' ' GLN . 52.7 t30 -53.14 -110.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t -170.67 -139.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.604 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.797 0 CA-C-O 118.014 -1.437 . . . . 0.0 110.931 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ptm . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 6' ' ' ALA . 84.5 mt-10 -83.47 -23.33 32.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.58 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.8 tp60 -41.67 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -44.0 -48.07 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 51.0 t30 -63.51 -23.15 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -82.57 -63.72 1.32 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -55.44 -41.79 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.759 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.6 -44.27 82.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.981 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 10.8 p -60.23 -21.37 61.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.505 -179.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -67.98 -40.7 83.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.71 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.7 mt -57.74 -46.24 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLU . 61.7 tttm -37.31 -54.89 1.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 4.4 mmtm -51.77 -43.54 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.109 0.48 . . . . 0.0 109.9 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.6 t60 -68.79 -61.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -85.87 29.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.67 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.581 ' OE2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -55.34 -23.35 23.38 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.96 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 39.1 mtmt -98.86 -42.97 6.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 110.367 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -83.04 46.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.796 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.806 HG23 ' H ' ' A' ' 20' ' ' GLY . 2.2 tt -60.62 -63.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.326 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.806 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.34 -61.55 0.12 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -45.15 -47.6 12.27 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.589 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.3 t-80 -66.36 -22.13 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 20' ' ' GLY . 12.0 t70 -83.41 -7.04 59.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -91.81 -68.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.579 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.6 m-85 -110.35 -66.28 1.08 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.761 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.3 mm -42.03 -17.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.714 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' TYR . 84.5 tttt -15.66 -97.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.661 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 32.3 p-10 -148.35 52.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 28' ' ' ASP . 1.6 mt -41.38 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -125.4 22.07 7.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.441 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -136.1 88.14 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.378 0.609 . . . . 0.0 110.742 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -148.79 127.57 12.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.071 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.8 m -119.64 127.16 75.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.28 0.562 . . . . 0.0 111.977 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -123.67 130.02 52.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.122 179.259 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 40.0 mtmt -120.96 -57.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.365 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.0 t30 160.7 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.44 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 38' ' ' VAL . 26.6 m-20 -87.81 -45.67 10.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.735 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 39' ' ' LEU . 48.3 t -154.66 166.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.16 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.655 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.7 mp -125.16 123.73 40.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.529 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -118.23 143.81 46.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.134 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 40' ' ' LEU . 4.2 mp -140.03 135.09 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.657 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.1 mm? -64.28 132.6 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.251 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.0 tp -162.18 93.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.321 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -86.44 -23.49 26.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.258 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 52.1 m-80 -48.21 115.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.69 -33.25 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 50' ' ' ASN . 95.0 m-85 -73.98 -72.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.758 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.63 -33.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -79.39 -36.03 39.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.562 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.5 t-20 -54.58 -44.7 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.309 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -46.48 9.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.435 -178.323 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' OG ' ' A' ' 56' ' ' SER . 25.9 mt -47.69 -54.19 12.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.307 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -73.45 -10.19 59.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.245 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.66 -30.79 56.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.305 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -165.54 60.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -83.63 -93.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mm-40 70.49 46.02 0.58 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 58' ' ' ILE . 17.5 mm -64.4 3.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.845 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' H ' ' C ' ' A' ' 57' ' ' GLU . 9.0 tt -86.25 -34.79 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -46.33 -12.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.701 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.861 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -131.22 -48.62 1.0 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.18 -20.13 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.547 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.13 2.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.349 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' TYR . 69.8 m -96.31 -69.53 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.16 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 7' ' ' PHE . 36.2 tp -38.54 -23.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.923 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.9 m-85 -118.57 -174.9 2.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.276 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.67 -40.59 72.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.75 78.25 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 71' ' ' SER . 3.9 mm -41.81 142.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -79.6 -38.5 33.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 69' ' ' ILE . 6.3 p -179.09 -178.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 t -149.18 147.91 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.814 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -164.51 145.93 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.587 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 5.2 m-85 -116.92 141.91 47.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.506 -1.224 . . . . 0.0 108.87 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LEU . 6.6 m -142.92 -166.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.02 157.58 16.24 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.236 0.541 . . . . 0.0 111.521 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -38.0 -46.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.287 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -70.05 -47.26 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.007 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -52.11 -63.69 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.922 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.412 ' CG ' HD21 ' A' ' 42' ' ' LEU . 1.7 t80 -48.08 -37.84 16.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -63.81 -32.95 74.63 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.02 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 65.1 t80 -61.26 -30.77 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -91.72 18.36 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.377 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.1 tp -92.81 -18.13 23.26 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.67 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.47 -26.1 12.53 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.734 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.506 ' NZ ' ' CE2' ' A' ' 82' ' ' PHE . 40.8 mmtm -43.32 -52.78 5.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.036 0.446 . . . . 0.0 110.077 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.785 ' H ' HD12 ' A' ' 87' ' ' LEU . 8.0 mp -39.58 161.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.505 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -163.14 150.27 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -136.45 -56.68 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.523 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -70.83 159.17 35.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.652 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t 179.86 101.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -166.77 1.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' A' ' 94' ' ' THR . 32.1 t0 -67.98 -140.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.519 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 8.4 t -84.86 146.16 27.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.496 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -161.95 19.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.559 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.76 83.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.487 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 95' ' ' LEU . 55.8 tt0 -165.09 -57.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -166.43 -55.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 t -169.32 -93.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.998 -1.446 . . . . 0.0 110.941 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.7 mt-10 -79.86 -38.98 31.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 5.8 tt0 -42.31 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CD2' ' CE2' ' A' ' 32' ' ' PHE . 5.0 t80 -44.58 -45.85 9.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.698 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.97 -28.15 67.42 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.114 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.76 -60.86 2.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.56 -44.69 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 24.2 ttpp -60.51 -50.09 74.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.486 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -57.58 -21.48 39.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.075 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -66.39 -37.87 86.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.461 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.95 -45.24 94.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.635 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' GLU . 65.3 mttm -39.08 -53.04 1.84 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.6 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.7 t-160 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.678 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -88.29 28.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.599 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.6 tt0 -48.83 -59.44 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -80.77 8.08 8.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.269 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -126.44 53.72 1.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.767 HG23 ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -84.23 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.893 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.767 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.32 -63.89 0.13 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 50.8 t80 -40.5 -49.66 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.0 t-80 -63.06 -61.82 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.396 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.26 -13.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.004 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -101.85 -60.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.605 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 61.8 m-85 -75.71 -71.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.549 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -64.94 -65.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' HIS . 6.8 ttmm 67.16 -71.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -172.72 101.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.2 mm -83.11 -150.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.621 ' H ' HG22 ' A' ' 29' ' ' ILE . 57.5 t30 -170.07 20.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.251 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' CB ' HD23 ' A' ' 42' ' ' LEU . 20.2 mmm180 -143.0 99.45 3.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.033 0.444 . . . . 0.0 110.618 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' CD2' ' A' ' 4' ' ' PHE . 29.7 p90 -148.51 117.72 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.84 145.59 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.203 0.525 . . . . 0.0 112.075 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.72 61.18 1.68 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.729 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -127.13 41.15 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -158.35 35.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.37 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 57.53 17.39 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.397 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 39' ' ' LEU . 44.9 t -150.25 163.39 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.564 ' N ' HG12 ' A' ' 38' ' ' VAL . 4.9 mp -119.85 116.94 26.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 0.0 110.283 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 41' ' ' ILE . 3.2 tt -118.02 145.04 45.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.734 ' N ' HD23 ' A' ' 40' ' ' LEU . 44.2 mt -143.17 138.47 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 80' ' ' PHE . 3.1 mm? -64.27 139.25 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.021 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 tp -156.8 103.64 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -87.25 -34.04 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -45.61 113.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.92 -50.3 64.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.08 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 34.6 m-85 -57.78 -63.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 109.988 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ARG . . . -40.26 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 27.9 ttt-85 -36.34 -37.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.006 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 4.2 t-20 -54.66 -57.43 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.428 0.633 . . . . 0.0 110.546 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -48.75 22.12 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.098 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -46.29 -57.19 4.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -70.46 -10.59 59.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.919 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.77 -27.75 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.1 t-20 -156.59 71.56 0.7 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.147 179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.0 p -102.52 54.47 0.78 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.47 41.41 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.283 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 56' ' ' SER . 10.5 mm -66.35 -13.65 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.925 HD12 ' O ' ' A' ' 70' ' ' LYS . 3.3 tt -71.85 -6.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.484 0.659 . . . . 0.0 109.56 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -34.79 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.09 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.783 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.28 -43.0 3.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -179.277 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -43.55 -31.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -65.52 31.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.072 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.624 ' H ' ' C ' ' A' ' 62' ' ' ALA . 3.0 t -135.9 96.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.745 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 64' ' ' SER . 3.7 mt 146.5 -27.91 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.816 0.697 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.511 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 9.0 m-85 -118.44 -175.38 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.15 -25.88 67.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.165 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 157.99 83.25 0.04 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 70' ' ' LYS . 8.3 mm -48.17 157.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.413 . . . . 0.0 110.671 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.925 ' O ' HD12 ' A' ' 59' ' ' ILE . 8.4 tttp -100.78 -106.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.663 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 70' ' ' LYS . 71.2 m -103.53 177.11 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.422 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -145.89 143.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.768 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 11.8 t-20 -170.8 157.89 5.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.497 0.665 . . . . 0.0 112.181 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.672 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -127.73 148.35 50.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.174 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.547 HG22 HD21 ' A' ' 40' ' ' LEU . 13.9 m -145.44 -156.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.282 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -107.28 162.43 13.91 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 -179.471 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' ASN . 35.5 tp10 -35.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.679 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -49.91 -51.84 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.797 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -63.29 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CD1' HD22 ' A' ' 40' ' ' LEU . 5.6 t80 -41.63 -49.51 4.15 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.2 t80 -53.54 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.937 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 81' ' ' PHE . 64.3 t80 -32.02 -39.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.9 t-20 -78.85 -51.67 9.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.1 tp -72.56 -11.57 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -83.44 -23.44 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.412 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -98.1 32.0 2.56 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.653 ' CD2' ' N ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -57.94 -155.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.725 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 89' ' ' GLU . 44.0 tt0 -48.37 -13.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.745 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 87' ' ' LEU . 10.9 tp10 78.35 80.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.501 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -169.23 141.67 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 10.3 t -160.82 60.97 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 -172.13 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.06 103.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.759 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 94' ' ' THR . 15.3 t -116.97 44.15 2.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.621 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.914 ' H ' HD22 ' A' ' 95' ' ' LEU . 1.1 mm? -74.09 14.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.49 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.472 ' O ' ' O ' ' A' ' 95' ' ' LEU . 32.3 t80 55.27 117.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.687 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' A' ' 98' ' ' ASN . 11.8 pt20 -165.6 -34.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 97' ' ' GLN . 14.0 m120 -160.71 106.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.9 t -163.14 -38.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.036 -1.424 . . . . 0.0 110.925 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' SD ' ' OE2' ' A' ' 2' ' ' GLU . 35.2 ttm . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.613 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -73.22 -29.09 62.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.706 0.289 . . . . 0.0 110.458 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.2 tt0 -39.39 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 4.1 t80 -45.86 -43.27 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.665 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -63.57 -25.44 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.74 -63.65 1.33 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 1.4 t80 -55.02 -40.13 69.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.16 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 19.6 ttpp -68.87 -43.54 75.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.75 -17.35 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.841 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.46 -29.41 56.92 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.68 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.769 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt -67.2 -42.44 84.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLU . 90.1 mttt -38.48 -51.85 1.58 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.994 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HZ2' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -50.56 -43.7 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.397 0.617 . . . . 0.0 109.494 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.9 t-160 -69.36 -61.33 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.317 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.36 30.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.8 tt0 -41.84 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.811 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 19' ' ' ILE . 16.1 mtpp -74.24 -25.54 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -72.44 41.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.668 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.777 HG23 ' H ' ' A' ' 20' ' ' GLY . 2.8 tp -70.26 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.777 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.97 -39.48 0.01 OUTLIER Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' ILE . 83.9 t80 -75.63 -48.49 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.334 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.1 t-80 -65.92 -16.62 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -90.6 -5.18 56.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -89.8 -71.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.732 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 9.2 m-85 -111.85 -59.72 1.95 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.3 mm -41.51 -49.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.211 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 26' ' ' ILE . 63.0 tttt 18.64 -130.93 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.424 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 29' ' ' ILE . 10.9 t70 -125.5 68.5 1.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.162 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 30' ' ' ASN . 1.3 mt -58.15 -145.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.555 ' H ' HG22 ' A' ' 29' ' ' ILE . 37.3 p-10 -167.62 23.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.645 ' HB3' HD23 ' A' ' 42' ' ' LEU . 18.8 mmt-85 -135.52 87.73 2.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.332 0.586 . . . . 0.0 110.514 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 51.2 p90 -149.84 125.97 10.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.034 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.45 143.03 42.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.063 0.458 . . . . 0.0 111.62 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 8.7 p90 -134.66 56.78 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.872 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -122.13 53.0 1.24 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.563 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -174.98 53.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.207 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.9 p30 42.64 17.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ASN . 97.5 t -148.61 160.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.524 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.7 mp -121.8 119.82 32.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.58 143.33 46.85 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.4 mt -139.15 136.7 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.185 0.517 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.645 HD23 ' HB3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -58.71 132.54 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.651 -179.529 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' VAL . 57.1 tp -158.52 108.19 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.283 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -90.1 -49.13 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.525 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 17.1 m-80 -42.19 118.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -67.3 -35.81 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.654 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' ASN . 68.1 m-85 -63.36 -68.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 109.967 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.87 -40.31 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.375 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -71.05 -38.59 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.378 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' PHE . 18.5 t-20 -52.02 -49.6 63.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.941 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.74 -43.86 13.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.623 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.4 mt -51.56 -48.81 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.902 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -77.74 -12.55 59.98 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.0 -27.71 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -150.83 57.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.198 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.6 m -77.16 45.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.505 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.85 29.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.445 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' A' ' 56' ' ' SER . 26.8 mm -63.27 -19.65 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.46 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 5.1 tt -67.23 1.98 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.426 0.631 . . . . 0.0 109.808 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 58' ' ' ILE . 23.0 m170 -78.35 -49.04 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.929 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.911 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -100.7 -41.75 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.801 -179.059 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.97 -33.77 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -81.63 29.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.759 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -109.34 -34.67 6.48 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.3 -76.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CE1' HD11 ' A' ' 69' ' ' ILE . 42.4 p90 -119.48 114.03 21.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -54.63 158.1 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.4 -10.93 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 66' ' ' TYR . 21.3 mm -59.55 89.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.082 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -66.35 -34.93 79.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.949 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.4 t 179.06 -176.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.526 ' N ' ' OG ' ' A' ' 71' ' ' SER . 4.2 t -144.6 141.3 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -157.51 153.0 26.33 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.453 0.644 . . . . 0.0 111.826 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.635 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -127.4 145.69 50.73 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.62 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' LEU . 5.8 m -147.22 -169.69 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -90.68 155.63 18.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.067 0.46 . . . . 0.0 111.171 -179.457 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.557 ' HA ' HD11 ' A' ' 42' ' ' LEU . 13.6 tp10 -41.15 -42.84 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.802 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -70.81 -50.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.724 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 76' ' ' ASN . 3.3 m-20 -56.31 -53.75 53.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.171 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -55.54 -44.4 76.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.78 -35.25 72.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.136 0.493 . . . . 0.0 110.588 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.54 -27.5 67.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.791 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -68.99 -42.86 75.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.586 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -85.83 -18.03 34.03 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.453 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.22 -27.3 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -54.43 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.743 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -43.9 114.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.61 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -155.79 10.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.177 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -155.43 -39.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.459 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.485 ' CG ' ' H ' ' A' ' 91' ' ' SER . 10.9 t-20 -172.69 -132.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.485 ' H ' ' CG ' ' A' ' 90' ' ' ASN . 86.6 p -148.29 155.67 41.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.51 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -173.39 150.01 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.43 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 94' ' ' THR . 42.1 t0 -77.51 172.15 13.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 8.9 t -66.73 -175.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.6 151.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -152.96 -60.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.244 0.545 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 54.8 tt0 -174.59 152.23 1.63 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.566 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -71.32 136.07 47.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.3 m -167.42 -67.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.71 0 CA-C-O 118.004 -1.442 . . . . 0.0 110.857 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mmt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.3 mt-10 -79.28 14.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.527 ' OE1' HD12 ' A' ' 65' ' ' LEU . 2.1 tp-100 -44.92 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -43.22 -51.14 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.73 -26.6 65.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.514 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.9 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -80.35 -60.47 2.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -44.96 96.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -62.07 -48.78 78.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -57.65 -27.2 62.63 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.047 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.21 -30.36 70.8 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.013 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.703 ' N ' HD23 ' A' ' 10' ' ' LEU . 7.1 mt -68.18 -44.24 76.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 11' ' ' LEU . 43.5 tttp -36.99 -55.05 0.94 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -53.21 -40.56 64.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.1 t60 -71.2 -62.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.512 ' CD1' ' OG1' ' A' ' 18' ' ' THR . 3.1 m-85 -78.2 22.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -48.08 -27.55 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 19' ' ' ILE . 86.3 mttt -91.13 -47.01 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.743 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.512 ' OG1' ' CD1' ' A' ' 15' ' ' TYR . 7.8 p -70.65 41.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.034 HG23 ' H ' ' A' ' 20' ' ' GLY . 5.0 tt -58.34 -85.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.2 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 1.034 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.23 -57.73 0.13 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' GLY . 76.7 t80 -39.58 -47.64 1.96 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.603 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.8 t-80 -62.31 -52.0 65.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.173 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.57 -2.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.665 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -96.86 -74.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.408 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' LYS . 7.0 m-85 -102.82 -66.8 0.91 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.052 -0.659 . . . . 0.0 112.088 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.7 mm -38.72 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.193 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 25' ' ' TYR . 70.3 tttt -81.75 -39.0 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.716 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 25' ' ' TYR . 37.7 t70 -68.8 -35.42 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.006 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' ASN . 72.9 mt -43.09 158.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 30.9 p30 -164.24 16.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -135.86 113.23 10.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 110.785 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -152.91 129.35 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.74 143.22 41.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.323 0.582 . . . . 0.0 111.829 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.68 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.4 t80 -131.27 54.01 1.95 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.808 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' C ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -135.14 90.01 2.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 1.2 p30 169.02 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.069 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 21.7 p-10 142.23 10.3 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.073 0.858 . . . . 0.0 110.629 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.676 HG12 ' N ' ' A' ' 39' ' ' LEU . 40.3 t -153.95 170.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' HG12 ' A' ' 38' ' ' VAL . 6.2 mp -118.39 115.36 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 145.33 45.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.342 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.09 134.75 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -66.73 133.66 50.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.7 tp -150.83 108.56 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.18 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -90.38 -40.05 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.729 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 64.5 m-80 -42.26 114.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 -179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -68.23 -39.51 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.067 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -62.33 -66.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.014 0.435 . . . . 0.0 109.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' SER . . . -43.11 -69.47 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.107 0.48 . . . . 0.0 110.031 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 48' ' ' ALA . 14.4 ttp85 -36.05 -40.46 0.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.248 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -57.71 -47.82 81.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.517 -179.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 25.7 p -81.16 -55.07 4.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.592 -1.186 . . . . 0.0 112.643 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' N ' ' OG ' ' A' ' 51' ' ' SER . 33.8 mt -44.05 -54.73 5.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.817 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -70.73 -11.14 60.76 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.917 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 51' ' ' SER . 6.6 t70 -72.4 -29.41 63.71 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.417 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.7 t30 -149.83 62.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.812 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -96.43 51.27 1.18 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.201 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -79.2 47.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 58' ' ' ILE . 22.1 mm -62.8 0.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.381 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 tt -89.02 -29.1 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -55.75 -14.37 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.789 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.753 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -126.39 -48.54 1.56 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 8.93 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' H ' ' C ' ' A' ' 61' ' ' LEU . 16.7 pt-20 -90.16 26.15 1.97 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.635 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' TYR . 72.1 p -121.79 -69.23 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.711 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.9 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -39.58 -27.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.958 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.3 m-85 -119.27 170.62 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.4 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -59.13 -31.14 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.88 85.4 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.457 HD12 HD13 ' A' ' 39' ' ' LEU . 5.4 mm -47.2 146.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.464 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' HZ2' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -83.9 -39.43 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.151 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 20.2 t -174.87 175.94 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.419 ' N ' ' OG ' ' A' ' 71' ' ' SER . 8.7 t -148.91 147.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.996 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 9.2 t-20 -173.28 159.52 3.82 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.612 0.72 . . . . 0.0 112.011 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.584 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -131.43 148.5 52.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.062 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.66 -155.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' GLU . 1.3 m-20 -106.01 161.37 14.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' ASN . 9.7 tm-20 -35.38 -68.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.585 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.95 -50.69 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.171 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.403 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 3.9 m-20 -51.56 -62.03 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.689 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.2 t80 -40.9 -46.73 2.84 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 0.0 110.33 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' ASN . 59.6 t80 -55.46 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' PHE . 24.0 t80 -35.69 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 6.3 t-20 -75.75 -51.99 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.407 ' CD2' ' CZ ' ' A' ' 80' ' ' PHE . 1.8 pp -80.4 -15.94 55.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 110.494 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . . . -77.96 -32.92 51.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 87' ' ' LEU . 3.9 tppt? -53.07 -80.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER 38.99 -162.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.802 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 59.85 -133.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.482 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 45.25 61.05 2.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.563 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -44.24 145.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.0 p -151.91 155.01 37.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.593 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 -85.79 -125.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -44.98 148.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 95' ' ' LEU . 8.8 t -94.09 155.89 16.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.532 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 97' ' ' GLN . 6.7 mp 46.49 97.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.363 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -57.23 84.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' LEU . 60.4 tt0 -169.93 -76.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.563 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -154.1 -160.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.6 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.4 m -121.09 -75.71 0.59 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.482 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.784 0 CA-C-O 118.087 -1.396 . . . . 0.0 110.852 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.8 mpp? . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.2 pt-20 -80.62 -16.71 53.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 21.8 tt0 -42.77 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.256 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.597 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 1.6 p90 -45.04 -44.96 10.54 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.089 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.597 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 16.8 t-20 -62.4 -26.92 68.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.512 179.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -79.13 -61.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.365 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -42.31 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 109.913 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -67.74 -45.64 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 11.4 p -57.91 -21.64 44.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.095 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -70.17 -45.93 65.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.361 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.3 mt -51.81 -44.17 63.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLU . 3.7 ttmp? -38.7 -62.32 0.62 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.051 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -41.04 3.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.5 . . . . 0.0 110.119 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.601 ' CG ' HD21 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -71.39 -60.85 2.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.261 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -90.88 31.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.384 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 12' ' ' LYS . 5.1 pt-20 -47.72 -47.89 29.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.756 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -93.28 2.56 56.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -124.81 46.62 2.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.732 HG23 ' N ' ' A' ' 20' ' ' GLY . 15.2 tt -88.24 -59.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.724 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.732 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -30.51 -59.46 0.23 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' GLY . 20.1 t80 -39.54 -46.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 19' ' ' ILE . 13.6 t-80 -63.0 -57.61 10.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.532 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -15.32 12.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -57.76 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -77.7 -73.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.469 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -62.23 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.281 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 29' ' ' ILE . 23.9 mtmt 64.93 -176.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -55.89 80.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.5 tp -53.09 163.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.035 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.467 ' H ' ' HD3' ' A' ' 31' ' ' ARG . 20.5 m120 -145.74 8.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.558 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.47 88.67 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.37 0.605 . . . . 0.0 110.456 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -159.46 145.31 16.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.232 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -149.04 152.13 12.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.124 0.488 . . . . 0.0 111.473 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 12.3 p90 -137.11 63.2 1.57 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.011 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -119.85 21.87 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' A' ' 38' ' ' VAL . 77.8 m-20 -128.09 29.14 5.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.848 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 74.88 -18.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.0 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.804 HG12 ' H ' ' A' ' 39' ' ' LEU . 15.9 t -118.5 178.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.379 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.804 ' H ' HG12 ' A' ' 38' ' ' VAL . 5.8 mp -123.18 121.39 35.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD11 HG21 ' A' ' 75' ' ' VAL . 10.2 tt -118.59 144.02 46.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.657 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.01 131.1 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.112 0.482 . . . . 0.0 110.693 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.546 ' C ' HD23 ' A' ' 42' ' ' LEU . 5.6 tt -78.56 90.46 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' VAL . 26.8 tp -99.72 120.5 39.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.109 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' ASN . 34.3 mt-10 -91.24 -71.41 0.63 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.824 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 88.1 m-20 -29.42 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.945 -178.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.26 -40.81 25.87 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.9 m-85 -60.23 -66.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 0.0 109.814 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.59 -32.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.518 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.62 ' NH1' ' ND2' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -82.66 -32.95 27.92 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.796 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 47' ' ' PHE . 52.0 t-20 -52.63 -47.21 67.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.498 -179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -44.63 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.674 -178.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' LEU . 26.0 mt -47.71 -55.49 9.39 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.264 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -72.17 -9.72 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.839 -179.461 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.84 -31.9 59.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.353 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -165.88 68.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 1.6 m -91.23 -91.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 71.93 51.29 0.22 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.652 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 58' ' ' ILE . 51.7 mt -71.91 -0.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.167 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.433 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 4.2 tt -83.86 -3.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -75.85 -10.69 59.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.068 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.916 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -138.69 -35.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.6 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -61.03 -25.23 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.342 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.59 34.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.108 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 62' ' ' ALA . 33.4 m -129.71 -31.64 1.97 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.991 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tp -86.81 -25.34 24.63 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.565 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.429 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 18.9 m-85 -117.82 -172.83 2.32 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.6 95.7 10.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.783 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 40.62 73.35 0.2 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLY . 3.4 mm -38.59 141.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' OG ' ' A' ' 71' ' ' SER . 40.2 mttm -84.22 -39.44 19.31 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.596 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.8 m -179.25 -178.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.988 0.423 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 t -149.15 146.9 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.64 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -165.55 165.44 18.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.099 0.476 . . . . 0.0 111.429 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -129.56 165.18 22.22 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.431 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -153.13 -164.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.522 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.62 ' ND2' ' NH1' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -122.68 178.39 5.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.107 0.48 . . . . 0.0 111.433 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.468 ' HA ' HD11 ' A' ' 42' ' ' LEU . 39.5 mt-10 -34.11 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.255 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.92 -51.03 69.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.6 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 7.4 m-20 -52.57 -61.2 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.39 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.82 -43.65 8.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.214 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.9 t80 -60.4 -67.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' PHE . 78.9 t80 -28.55 -38.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.03 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.0 t30 -76.8 -50.22 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.308 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . 43.2 tp -74.3 -25.3 59.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB2' ' CD1' ' A' ' 81' ' ' PHE . . . -71.17 -9.57 58.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.526 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -50.55 -44.14 56.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.709 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.87 132.14 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.32 134.03 45.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -113.94 -96.52 0.45 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.506 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -177.93 144.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.638 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t -162.9 -2.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -78.75 -165.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.527 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.59 8.91 3.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.691 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 94' ' ' THR . 8.1 t -81.31 111.8 18.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 95' ' ' LEU . 10.2 mp -94.77 147.71 23.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.292 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.452 ' CD2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -44.0 124.49 3.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.386 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -166.9 92.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -72.21 -73.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 t -168.68 2.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.529 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 CA-C-O 118.022 -1.432 . . . . 0.0 110.917 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.491 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 2.4 ptt? . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.491 ' H ' ' CG ' ' A' ' 1' ' ' MET . 8.5 pt-20 -89.82 -30.74 17.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.475 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' ALA . 11.4 tt0 -41.44 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -43.48 -49.23 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.899 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 11.2 t-20 -61.16 -27.34 68.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.519 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -82.65 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.862 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -56.0 -44.11 78.32 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.614 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 24.2 ttmt -65.44 -44.15 88.23 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 7.1 p -57.64 -24.74 58.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.403 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -64.23 -40.92 97.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 14' ' ' HIS . 22.1 mt -58.8 -48.28 81.81 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' LEU . 56.0 tttm -36.48 -57.33 0.76 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.976 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -51.2 -43.31 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.122 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -68.35 -65.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.392 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -77.95 24.06 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -46.67 -63.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.446 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -79.67 -0.58 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.2 41.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.93 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.4 tt -77.55 -67.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.93 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.1 -37.05 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 19' ' ' ILE . 72.9 t80 -77.24 -48.95 16.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.038 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 55.4 t-80 -62.77 -25.83 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.651 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.42 -5.43 59.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.343 0.592 . . . . 0.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -92.41 -53.02 4.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.566 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CD2' ' ND2' ' A' ' 45' ' ' ASN . 29.1 m-85 -120.69 -70.62 0.78 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.618 -0.833 . . . . 0.0 112.174 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.535 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.9 mt -41.18 -41.94 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.641 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 26' ' ' ILE . 23.3 ttpp 22.85 -107.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.44 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 29' ' ' ILE . 45.2 t0 -157.01 71.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.327 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.609 HG22 ' H ' ' A' ' 30' ' ' ASN . 1.4 mt -57.72 -149.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.503 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.609 ' H ' HG22 ' A' ' 29' ' ' ILE . 47.6 m-20 -154.67 23.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.551 ' CB ' HD23 ' A' ' 42' ' ' LEU . 2.8 mmp_? -136.12 90.87 2.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.343 0.592 . . . . 0.0 110.72 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 48.8 p90 -147.57 127.51 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.72 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.81 139.76 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.181 0.515 . . . . 0.0 112.032 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -134.16 141.59 47.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.847 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 28.9 mtmm -120.03 -34.79 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 12.1 t30 140.31 -18.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.995 0.809 . . . . 0.0 109.603 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -99.32 -42.02 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.205 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.495 ' C ' HD12 ' A' ' 39' ' ' LEU . 35.7 t -148.53 157.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.363 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 38' ' ' VAL . 6.3 mp -127.68 127.53 43.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.107 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.06 143.71 46.97 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.901 0.382 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.8 mt -139.51 136.6 40.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD23 ' CB ' ' A' ' 31' ' ' ARG . 1.7 mm? -59.09 134.59 57.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.282 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' VAL . 14.2 tp -159.06 100.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.698 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 46' ' ' GLU . 25.6 mt-10 -87.29 -55.98 3.57 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.394 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.461 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 42.2 m-80 -35.02 89.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.4 tt0 -40.26 -30.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 50' ' ' ASN . 74.6 t80 -68.39 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.81 -28.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.452 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.563 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 0.1 OUTLIER -85.25 -33.59 22.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.949 0.404 . . . . 0.0 110.1 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.9 t-20 -55.03 -41.64 71.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -49.58 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.691 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -46.68 -58.75 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -11.02 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.71 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.24 -29.13 53.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.954 0.407 . . . . 0.0 110.27 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -165.1 52.67 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -80.28 -89.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.567 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 70.4 50.26 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 58' ' ' ILE . 34.6 mm -67.05 -5.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 59' ' ' ILE . 7.2 tt -79.69 -7.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.259 0.552 . . . . 0.0 109.597 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -72.77 -15.65 61.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.036 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.861 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -129.84 -45.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 0.0 109.781 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -54.58 -24.95 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.292 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HA ' ' H ' ' A' ' 69' ' ' ILE . 7.6 pt-20 -61.66 1.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' A' ' 65' ' ' LEU . 25.1 p -96.38 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.985 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.777 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -38.53 -24.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.799 -179.515 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.2 m-85 -118.84 175.51 5.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.73 -27.55 69.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.36 84.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' H ' ' HA ' ' A' ' 63' ' ' GLU . 5.1 mm -44.95 146.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' O ' ' OG ' ' A' ' 71' ' ' SER . 5.2 mmtp -90.08 -43.48 10.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 1.3 m -169.59 171.23 7.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 t -147.48 145.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.015 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 -164.97 154.68 13.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.482 0.658 . . . . 0.0 111.665 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.74 146.1 52.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.385 179.682 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' LEU . 28.4 m -149.13 -160.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.948 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.563 ' OD1' ' NH1' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -99.15 164.41 12.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.2 0.524 . . . . 0.0 111.039 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 42' ' ' LEU . 60.6 tt0 -37.37 -70.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.601 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -49.15 -52.47 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.959 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 5.2 m-20 -50.19 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.23 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -42.53 -43.83 3.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t80 -58.98 -68.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.324 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.6 t80 -29.97 -38.71 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -73.88 -49.23 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.095 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.8 tp -73.92 -19.18 60.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.051 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.89 -33.47 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.719 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 88' ' ' GLU . 39.3 tptt -47.1 -51.5 17.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.93 HD22 ' H ' ' A' ' 87' ' ' LEU . 2.8 mm? -41.47 89.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.591 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 86' ' ' LYS . 29.7 mm-40 -86.43 -83.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -159.81 -39.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' O ' ' OG ' ' A' ' 91' ' ' SER . 90.8 m-20 -110.84 104.69 13.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 90' ' ' ASN . 3.3 m -167.57 -1.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -111.2 -70.62 0.8 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t70 61.63 135.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 t -117.29 175.56 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.468 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 95' ' ' LEU . 1.9 mp -106.47 -7.2 17.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.504 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.78 -149.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.565 ' NE2' ' O ' ' A' ' 98' ' ' ASN . 0.7 OUTLIER -120.4 114.64 22.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.455 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.565 ' O ' ' NE2' ' A' ' 97' ' ' GLN . 79.1 m-20 -77.37 -123.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.42 ' H ' ' H ' ' A' ' 100' ' ' GLY . 23.5 m -161.77 -11.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.607 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 99' ' ' SER . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 118.0 -1.445 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 54.2 mt-10 -83.74 16.16 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.707 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.549 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 45.5 tt0 -40.8 -80.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.206 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -49.19 -41.25 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -25.2 64.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -73.36 -59.56 2.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -59.14 -52.79 64.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.809 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -53.99 -27.86 34.23 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.953 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -61.14 -41.64 97.11 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.461 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.0 mt -57.3 -44.83 84.42 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -38.59 -56.47 1.29 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -41.8 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.785 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 38.1 t60 -67.48 -68.16 0.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.371 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -73.69 20.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -56.82 -23.0 40.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.313 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -87.0 -66.33 0.92 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 39.64 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.329 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.877 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.5 tt -41.36 -65.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.877 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.36 -56.26 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -42.55 -47.84 5.24 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' N ' ' O ' ' A' ' 19' ' ' ILE . 25.0 t-80 -62.79 -47.92 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 7.3 t0 -66.11 2.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.412 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -98.28 -56.38 2.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.891 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LYS . 42.7 m-85 -127.15 -61.17 1.17 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.072 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' TYR . 9.9 mm -38.28 -23.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 25' ' ' TYR . 44.4 tttm -81.96 -57.78 3.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.44 89.41 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.678 HD11 ' O ' ' A' ' 42' ' ' LEU . 3.4 tp -158.48 161.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.104 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.596 ' ND2' ' O ' ' A' ' 30' ' ' ASN . 1.0 OUTLIER -165.76 19.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.364 -179.849 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -138.9 108.87 6.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.322 0.582 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CD2' ' N ' ' A' ' 32' ' ' PHE . 9.5 p90 -156.69 138.35 14.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.03 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -145.91 153.36 13.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.304 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -137.6 145.91 43.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.41 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -176.28 -21.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.947 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' VAL . 62.8 m-80 -119.7 44.72 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.14 4.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.39 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' ASN . 79.3 t -119.65 156.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.065 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' N ' HG12 ' A' ' 38' ' ' VAL . 4.9 mp -124.86 123.27 39.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.22 141.28 48.36 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.7 mt -140.49 135.73 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.678 ' O ' HD11 ' A' ' 29' ' ' ILE . 2.7 mm? -65.25 136.91 57.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.148 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -159.41 98.58 1.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.78 -28.77 27.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 31.6 m120 -43.49 112.62 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -64.76 -48.18 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.054 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 29.7 m-85 -60.88 -64.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -41.33 -73.18 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.23 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 29.1 ttt-85 -36.61 -38.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.78 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 1.6 t30 -54.93 -47.73 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.297 0.57 . . . . 0.0 110.311 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -86.24 -48.29 8.67 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.132 -179.07 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.492 HD12 ' HB1' ' A' ' 48' ' ' ALA . 4.7 mt -47.0 -53.85 11.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.137 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -73.94 -9.83 59.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.826 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.54 -28.99 61.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.248 0.547 . . . . 0.0 109.558 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -150.85 61.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.984 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 58' ' ' ILE . 77.3 p -83.27 47.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.951 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.64 32.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.076 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' ' 56' ' ' SER . 22.0 mm -60.6 -5.47 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.747 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 59' ' ' ILE . 7.8 tt -79.7 -12.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.5 -20.86 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.059 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.931 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.89 -45.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.021 0.438 . . . . 0.0 110.441 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.06 -15.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.845 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.53 33.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.829 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' TYR . 85.3 p -130.66 -70.26 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.911 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.4 tm? -37.58 -24.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.438 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.647 ' CZ ' HD12 ' A' ' 65' ' ' LEU . 13.8 m-85 -118.85 -179.52 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.028 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.2 pm0 -69.36 -38.73 78.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.33 89.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 71' ' ' SER . 5.1 mm -59.01 137.98 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.795 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -37.37 52.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.846 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 69' ' ' ILE . 4.4 p 178.01 -176.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.684 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.2 144.15 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.535 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 35.2 t-20 -163.82 152.36 13.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.562 0.696 . . . . 0.0 112.346 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.656 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -121.28 153.11 38.1 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.51 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.424 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 10.5 m -146.87 -159.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.242 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.98 153.65 22.26 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.231 0.539 . . . . 0.0 111.129 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 78' ' ' GLN . 2.7 pt-20 -33.41 -53.71 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.443 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -65.58 -44.67 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.267 -178.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -52.66 -63.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.39 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 84' ' ' LEU . 6.7 t80 -46.33 -38.63 9.02 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -28.93 70.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.544 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ASP . 81.0 t80 -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 1.1 t30 -94.37 23.64 5.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.66 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -92.57 -72.57 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.634 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -48.53 -24.08 1.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.958 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' ALA . 25.9 tptp -39.43 -42.43 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.368 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mp -42.33 114.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.388 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -78.57 -130.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -71.42 -3.9 23.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.477 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -66.8 157.65 32.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -153.66 159.85 42.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.471 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 93' ' ' ASP . 8.5 mmm180 -135.89 2.11 2.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.511 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.7 OUTLIER 50.96 103.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -96.19 6.39 48.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.573 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 95' ' ' LEU . 8.0 mp 45.96 -169.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.394 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -160.65 141.53 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -139.89 -119.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.547 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.76 34.43 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.513 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 p -175.31 51.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.649 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.944 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 6' ' ' ALA . 38.9 mm-40 -89.83 -18.96 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.626 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' A' ' 6' ' ' ALA . 37.0 tt0 -43.14 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.994 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -44.48 27.95 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -55.01 -28.63 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.725 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -76.47 -57.2 4.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 7.8 t80 -63.33 -55.78 21.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.4 -54.56 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.705 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -55.33 -28.16 51.89 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.502 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.09 -39.84 95.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.834 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 14' ' ' HIS . 8.1 mt -60.04 -53.44 57.72 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.6 tttp -34.51 -57.61 0.51 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.107 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -54.74 -43.13 72.42 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.587 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.5 t60 -59.75 -58.58 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.006 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.32 30.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.09 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.8 -36.81 72.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' NZ ' ' CB ' ' A' ' 17' ' ' LYS . 8.1 mtpm? -81.43 -43.61 18.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.182 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -78.24 32.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.212 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.039 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.2 tt -44.09 -80.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 1.039 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.38 -61.63 0.08 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -45.07 -46.83 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.033 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 19' ' ' ILE . 15.6 t-80 -68.56 -25.55 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' GLY . 9.4 t70 -90.56 -13.8 33.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.228 0.537 . . . . 0.0 109.838 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -89.62 -49.23 6.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.259 -179.059 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 27' ' ' LYS . 68.7 m-85 -118.05 -75.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.312 -0.955 . . . . 0.0 112.348 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.6 mt -39.9 -19.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.345 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 25' ' ' TYR . 2.8 tmtm? -63.6 -31.45 72.62 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.289 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.56 57.42 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 5.7 mm -128.72 144.47 37.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -163.79 21.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.578 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -141.33 121.39 13.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.075 0.464 . . . . 0.0 110.713 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 29.2 p90 -163.74 140.56 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -148.3 161.69 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.713 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.25 73.72 1.45 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.88 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 63.2 mttm -119.26 81.27 1.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 8.1 m-20 161.53 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.774 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.423 ' C ' HG23 ' A' ' 38' ' ' VAL . 19.7 p-10 -166.37 22.62 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.352 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.687 HG12 ' N ' ' A' ' 39' ' ' LEU . 41.6 t -154.61 171.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.08 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.687 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.3 mp -119.54 122.76 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.96 139.77 50.26 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 0.0 109.949 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' A' ' 74' ' ' PHE . 54.1 mt -133.31 131.79 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.606 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -63.22 129.75 41.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.157 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 tp -152.59 99.9 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.043 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -80.4 -43.32 21.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.757 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -45.77 111.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.8 tp10 -61.44 -47.05 87.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -58.49 -65.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.875 0.369 . . . . 0.0 110.567 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.09 -32.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.9 ttp180 -78.08 -41.04 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.08 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 -53.85 -35.81 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.326 0.584 . . . . 0.0 110.624 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.32 -47.19 7.91 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.475 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.45 -51.91 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 22.7 p-10 -74.12 -18.98 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.098 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.51 -21.66 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -158.5 72.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.026 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.567 ' C ' ' H ' ' A' ' 58' ' ' ILE . 23.7 m -92.14 50.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -70.06 34.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.911 0.386 . . . . 0.0 110.315 179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 56' ' ' SER . 31.6 mm -70.46 -0.55 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.2 tt -86.43 -3.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.389 0.614 . . . . 0.0 109.549 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -78.76 -15.32 58.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.967 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.868 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -127.66 -42.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.019 0.437 . . . . 0.0 110.017 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.607 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.32 -24.31 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.652 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.84 32.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.432 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.607 ' H ' ' C ' ' A' ' 62' ' ' ALA . 5.9 m -129.49 -64.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.725 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -50.27 -38.81 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.014 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' C ' ' H ' ' A' ' 68' ' ' GLY . 40.3 m-85 -120.89 101.79 7.93 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.25 32.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -157.16 41.92 0.53 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -78.32 110.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' O ' ' OG ' ' A' ' 71' ' ' SER . 3.9 mmmm -82.2 -35.57 28.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.2 m 178.61 -176.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.197 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 58' ' ' ILE . 18.5 t -138.77 134.38 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.864 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 63.0 t30 -136.32 157.33 47.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 111.978 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 3.2 m-85 -137.63 131.49 31.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.057 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.07 -174.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.582 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.429 ' ND2' ' CG ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -89.99 166.52 13.41 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.206 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 77' ' ' GLU . 17.9 mp0 -38.93 -72.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.944 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' PHE . 15.0 tt0 -47.82 -52.84 17.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' PHE . 29.1 m-20 -47.89 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD2' HD21 ' A' ' 42' ' ' LEU . 3.8 t80 -47.51 -38.32 13.74 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.58 -11.65 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 78' ' ' GLN . 10.7 t80 -78.02 -41.33 36.12 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 35.8 t30 -55.84 -25.42 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.279 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.7 mm? -85.85 -13.63 47.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.36 43.46 3.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.684 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -147.68 9.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.067 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -80.46 5.92 13.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.387 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 87' ' ' LEU . 31.9 tt0 -92.76 64.86 4.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -149.98 75.37 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 67.53 -139.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.489 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.1 p -161.54 124.87 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.4 ptt85 -62.62 161.75 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -156.39 -141.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.486 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.412 ' H ' HG22 ' A' ' 94' ' ' THR . 0.9 OUTLIER -55.21 139.03 43.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.501 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 95' ' ' LEU . 7.4 mp -71.75 -105.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 54.0 t80 -155.4 -8.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -173.56 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -50.17 142.06 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.8 t -171.0 -39.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.479 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.952 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.52 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 48.9 mmm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.61 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 2.2 pm0 -87.3 -35.7 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.425 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 22.7 mp0 -42.5 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 2.6 p90 -45.07 -44.96 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.005 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 37.9 t-20 -58.87 -31.45 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.748 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -76.65 -59.56 2.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.75 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CE2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.62 -46.93 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.136 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 34.1 ttpt -56.48 -53.74 53.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.018 0.437 . . . . 0.0 110.873 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 66.8 m -57.52 -23.58 51.05 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -36.28 81.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.433 178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 14' ' ' HIS . 10.2 mt -63.95 -45.34 89.58 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.901 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' LEU . 35.0 mtmt -37.41 -55.52 1.05 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.904 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -42.68 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.2 t-80 -64.43 -65.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.972 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.01 25.55 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.021 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.9 tp10 -45.92 -44.8 14.99 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.292 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -78.52 -40.77 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.231 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 44.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.265 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.031 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.7 tt -60.29 -74.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.717 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 1.031 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.07 -58.73 0.09 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -40.9 -46.88 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.979 0.418 . . . . 0.0 109.975 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' N ' ' O ' ' A' ' 19' ' ' ILE . 49.5 t-80 -63.11 -56.92 12.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.77 -4.01 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.92 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -93.94 -51.67 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.926 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 61.6 m-85 -129.85 -62.92 0.94 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.043 -0.663 . . . . 0.0 112.247 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' TYR . 14.7 mm -37.86 -22.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.728 0.299 . . . . 0.0 111.074 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 29' ' ' ILE . 39.0 tttt -79.84 -147.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 29' ' ' ILE . 19.1 t70 30.63 -84.96 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.746 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 27' ' ' LYS . 97.4 mt -37.08 162.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.593 ' N ' HG22 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -168.93 66.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.962 -179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -134.11 116.63 15.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -154.01 149.41 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.041 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.19 144.07 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' C ' ' A' ' 34' ' ' PHE . 6.8 p90 -134.48 145.19 48.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.609 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 20.8 tptt -117.61 -81.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 17.7 m120 -164.78 32.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.362 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 20.8 p-10 -171.94 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.983 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 39' ' ' LEU . 46.7 t -147.61 162.58 7.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.842 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.625 HD12 ' C ' ' A' ' 38' ' ' VAL . 7.3 mp -128.99 130.36 46.57 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.048 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.51 HD21 HG22 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -117.89 142.44 47.33 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.465 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -136.42 133.75 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 1.9 mm? -62.4 136.27 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 111.064 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' VAL . 15.3 tp -163.91 97.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.277 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' A' ' 45' ' ' ASN . 2.8 pp20? -84.45 -37.07 21.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.622 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 10.5 m120 -44.99 113.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.81 -43.42 94.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.524 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' A' ' 50' ' ' ASN . 4.7 m-85 -64.91 -68.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.322 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.44 ' O ' HD12 ' A' ' 52' ' ' LEU . . . -38.83 -32.9 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -80.54 -35.76 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.79 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.4 t-20 -53.58 -54.93 30.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.332 0.587 . . . . 0.0 110.772 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -47.15 46.23 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.344 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 48' ' ' ALA . 28.9 mt -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.365 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -75.95 -17.71 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.276 -179.129 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 53.1 m-20 -69.82 -24.67 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -155.99 69.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.069 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 58' ' ' ILE . 15.6 p -85.59 47.33 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.04 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.8 pt-20 -74.1 31.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.506 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.585 ' O ' HD12 ' A' ' 61' ' ' LEU . 68.0 mt -64.98 -17.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 tt -64.94 -12.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.156 0.503 . . . . 0.0 109.976 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -65.81 -25.37 67.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.137 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.19 -41.86 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.378 . . . . 0.0 110.489 -179.162 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 64' ' ' SER . . . -46.95 -32.98 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.711 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -52.3 -13.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.608 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.655 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 0.5 OUTLIER -91.29 94.03 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.342 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HB2' ' O ' ' A' ' 64' ' ' SER . 0.4 OUTLIER 148.48 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.881 0.738 . . . . 0.0 109.702 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 66' ' ' TYR . 10.2 m-85 -117.9 -175.45 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.197 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -85.46 96.77 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 37.93 73.17 0.15 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' GLY . 4.3 mm -37.68 141.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.787 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 47.3 mmtt -82.59 -38.47 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.062 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.567 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 6.4 t 177.67 -175.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.533 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.567 ' N ' ' OG ' ' A' ' 71' ' ' SER . 5.1 t -146.06 141.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.783 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 21.0 t-20 -147.71 161.27 41.53 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.234 0.54 . . . . 0.0 111.594 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.612 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -143.66 145.67 32.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.805 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.51 HG22 HD21 ' A' ' 40' ' ' LEU . 18.9 m -144.76 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.595 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.0 t30 -119.22 173.81 6.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.614 0.721 . . . . 0.0 111.023 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 72.0 mt-10 -39.23 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.859 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.06 -53.44 33.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.212 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 40.7 m-20 -49.34 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.041 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.04 -37.54 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.88 -24.26 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.039 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.87 -36.0 72.61 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.939 0.4 . . . . 0.0 109.946 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.74 -43.37 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.566 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.24 -18.04 61.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.026 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.33 -18.88 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.256 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' LEU . 34.3 ttpt -62.2 -42.83 99.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.565 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.55 162.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.949 0.404 . . . . 0.0 111.029 -179.484 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -139.62 -167.31 2.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -66.26 -41.28 90.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.287 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -100.49 147.84 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.396 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -128.32 51.76 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.47 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.532 ' HE ' ' CA ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER 53.25 85.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.446 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -163.68 -129.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.509 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.464 HG23 HD12 ' A' ' 95' ' ' LEU . 13.8 t -107.39 1.63 23.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.575 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 94' ' ' THR . 9.6 mp -85.33 14.72 5.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -77.63 98.22 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -133.4 85.96 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -105.64 -35.71 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 76.6 p -169.02 135.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.794 0 CA-C-O 117.982 -1.455 . . . . 0.0 110.866 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.5 mt-10 -82.63 -18.29 41.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.652 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.465 ' CD ' ' N ' ' A' ' 4' ' ' PHE . 13.4 tm0? -50.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' N ' ' CD ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -45.11 -58.26 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.343 0.592 . . . . 0.0 109.464 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.87 -23.7 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.204 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -81.99 -60.34 2.26 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.824 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -56.57 -49.25 75.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 109.914 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 27.4 ttpt -59.71 -52.86 63.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.674 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -53.84 -24.34 15.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.028 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -65.27 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.763 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' HIS . 17.4 mt -65.67 -47.92 73.83 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 11' ' ' LEU . 22.1 mttm -37.61 -54.95 1.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.257 -0.577 . . . . 0.0 109.482 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -55.93 -41.41 74.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.119 0.485 . . . . 0.0 109.874 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 11' ' ' LEU . 16.0 t-80 -69.08 -66.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.187 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.5 m-85 -74.94 19.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 14' ' ' HIS . 5.0 tm-20 -49.19 -46.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -89.77 14.85 10.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -139.42 54.87 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.829 HG23 ' H ' ' A' ' 20' ' ' GLY . 13.9 tt -73.36 -63.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.829 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.09 -62.5 0.07 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' A' ' 20' ' ' GLY . 56.5 t80 -35.87 -49.74 0.63 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.591 ' N ' ' O ' ' A' ' 19' ' ' ILE . 22.6 t60 -60.48 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.062 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.07 -6.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.921 0.391 . . . . 0.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -88.86 -77.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.457 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' LYS . 5.9 m-85 -102.41 -75.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.779 -178.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.583 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 1.7 mp -36.73 -29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.535 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' A' ' 26' ' ' ILE . 1.8 ttmp? 19.16 -125.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 28' ' ' ASP . 48.3 p30 -122.69 80.86 1.79 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.27 -161.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -169.84 40.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.083 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.5 tpp85 -133.16 100.55 4.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.318 0.58 . . . . 0.0 110.678 179.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -146.39 151.99 38.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.478 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.9 m -134.17 119.04 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.325 0.583 . . . . 0.0 111.849 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.63 126.2 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.556 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -120.03 -58.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.194 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.5 t-20 164.63 -23.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -94.7 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 39' ' ' LEU . 36.0 t -151.26 164.68 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 111.527 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.597 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.2 mp -127.12 125.98 42.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.572 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.771 HD23 ' N ' ' A' ' 41' ' ' ILE . 5.1 tt -119.73 148.06 43.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.771 ' N ' HD23 ' A' ' 40' ' ' LEU . 76.7 mt -140.55 136.87 36.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 42' ' ' LEU . 3.7 mm? -60.4 139.98 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' VAL . 27.5 tp -160.45 115.93 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.56 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -87.46 -70.45 0.62 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.688 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.5 m-80 -32.59 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.612 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . 5.0 pt-20 -42.77 -31.86 0.53 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.072 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 50' ' ' ASN . 81.7 m-85 -66.82 -65.73 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.925 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.9 -31.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.322 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.24 -32.12 43.74 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 47' ' ' PHE . 47.5 t-20 -58.52 -55.3 36.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 109.984 -179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -53.2 41.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.705 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 52' ' ' LEU . 20.8 mt -48.64 -51.44 28.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -72.49 -12.81 61.24 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.631 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -72.0 -30.09 64.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -151.32 56.37 0.88 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.695 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 58' ' ' ILE . 12.1 p -73.21 46.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.748 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.587 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.9 OUTLIER -70.44 18.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.542 ' H ' ' C ' ' A' ' 56' ' ' SER . 29.9 mm -49.55 -4.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.247 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.578 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.5 tt -88.73 -26.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.672 ' CE1' HD11 ' A' ' 61' ' ' LEU . 23.0 p-80 -59.3 -10.62 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -121.77 -48.2 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.515 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 6.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.142 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 61' ' ' LEU . 10.0 pt-20 -85.19 -4.77 59.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 m -91.3 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.636 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -50.46 -24.49 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -117.53 149.14 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.415 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -45.42 -62.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.26 82.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 71' ' ' SER . 4.5 mm -51.52 153.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.419 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' A' ' 71' ' ' SER . 11.6 tptm -87.84 -36.15 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.503 ' H ' HG22 ' A' ' 69' ' ' ILE . 3.5 m 176.58 -174.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.23 144.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.413 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 56.6 t30 -142.53 160.18 40.78 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.41 0.624 . . . . 0.0 111.748 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.413 ' CD1' ' C ' ' A' ' 73' ' ' ASN . 47.0 m-85 -138.83 134.59 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.298 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.627 HG22 HD21 ' A' ' 40' ' ' LEU . 11.4 m -148.09 -164.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.317 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -102.87 169.26 8.7 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.215 0.531 . . . . 0.0 111.239 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -38.25 -73.04 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.945 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.9 tm0? -47.15 -52.92 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.801 -178.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.529 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -49.9 -62.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.282 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 2.1 t80 -42.01 -42.56 2.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -57.42 -65.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.939 179.629 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.1 t80 -35.75 -33.41 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' PHE . 17.7 t-20 -73.32 -50.63 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -81.46 -15.48 54.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.593 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -78.52 -24.05 45.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -70.29 -74.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 87' ' ' LEU . 11.3 mp -75.8 152.24 37.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -145.43 159.33 43.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.536 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 2.9 mp0 -55.25 -33.22 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -167.86 -168.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.2 m -142.95 31.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 32.8 mtm105 -98.55 83.0 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 94' ' ' THR . 27.5 t0 61.22 144.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.485 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 9.6 t -98.92 10.67 40.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 95' ' ' LEU . 5.7 mp 51.12 -136.87 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.39 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -172.04 71.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.757 0.313 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -156.94 140.85 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.43 51.85 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 t -178.89 -76.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 117.945 -1.475 . . . . 0.0 110.917 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.409 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 6' ' ' ALA . 16.5 mt-10 -69.73 2.39 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.49 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.4 tm0? -42.11 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.472 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.522 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 12.2 p90 -47.6 -41.02 20.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 37.5 t-20 -58.89 -30.83 68.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -71.25 -55.09 8.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.032 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.62 -40.35 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.412 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 22.4 ttpp -60.61 -51.1 70.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.786 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -57.51 -25.24 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.342 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -64.32 -39.47 93.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.94 -44.54 96.55 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.794 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 11' ' ' LEU . 2.1 tttp -36.32 -57.8 0.72 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -50.99 -39.27 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.923 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.738 ' ND1' HD21 ' A' ' 61' ' ' LEU . 3.7 t60 -70.58 -61.79 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.268 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -84.78 26.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' LYS . 11.6 tm-20 -56.07 -32.48 64.16 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.325 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -95.7 5.59 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -131.34 66.8 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.834 HG23 ' H ' ' A' ' 20' ' ' GLY . 5.3 tp -77.44 -64.81 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.834 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.2 -62.77 0.11 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLY . 52.1 t80 -38.47 -50.13 1.52 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.113 0.482 . . . . 0.0 109.846 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ILE . 32.8 t-80 -62.94 -59.33 4.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.981 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -57.13 -5.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.086 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -94.45 -53.58 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.529 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 27' ' ' LYS . 50.8 m-85 -129.63 -66.48 0.8 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.13 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 mm -41.12 -16.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.344 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.3 tttm -84.92 -38.03 19.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' TYR . 24.5 t70 -89.19 59.76 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 30' ' ' ASN . 63.6 mt -142.21 160.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.091 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.506 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.0 p-10 -167.0 29.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.829 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -138.09 111.99 8.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.261 0.553 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.9 p90 -145.74 160.86 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.395 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 33.6 m -149.7 125.59 2.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.188 0.518 . . . . 0.0 111.866 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.3 t80 -126.69 54.02 1.63 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.482 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 17.2 tptm -121.56 84.51 2.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.8 p30 160.72 -102.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.075 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -153.85 17.45 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.951 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 39' ' ' LEU . 24.2 t -149.33 162.7 4.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.18 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.5 mp -119.78 119.87 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.64 146.22 44.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.975 0.417 . . . . 0.0 110.275 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.7 mt -141.31 137.16 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -60.87 134.73 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.462 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tp -161.81 103.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.181 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.563 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 mp0 -90.38 -42.97 10.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.07 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.533 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -37.7 117.55 0.58 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.992 0.425 . . . . 0.0 110.861 -179.556 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.41 -42.68 99.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.761 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' ASN . 52.8 t80 -67.58 -68.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.302 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.16 -32.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.803 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -81.5 -36.37 29.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.937 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.0 t-20 -53.91 -55.88 22.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.359 0.599 . . . . 0.0 110.727 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.24 -47.61 56.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.281 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 52' ' ' LEU . 16.1 mt -48.87 -56.44 8.76 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.973 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -70.76 -12.33 61.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.822 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.01 -29.35 65.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 24.9 p-10 -165.29 82.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.057 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 58' ' ' ILE . 2.8 p -111.64 59.26 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 59' ' ' ILE . 7.2 mp0 -72.29 41.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.192 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 56' ' ' SER . 13.6 mm -63.16 -1.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.0 tt -88.33 -2.75 9.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -20.53 55.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.685 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 1.015 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -119.91 -40.04 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.013 0.435 . . . . 0.0 110.078 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -64.13 -10.47 22.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.556 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.8 17.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.654 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' TYR . 61.7 m -119.16 -69.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -39.85 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.952 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 57.0 m-85 -119.29 -169.45 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.713 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.33 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.297 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.01 84.09 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 66' ' ' TYR . 6.1 mm -53.29 142.64 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.465 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -86.29 -38.01 17.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.67 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -176.51 179.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.3 t -146.82 145.32 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.851 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -166.94 160.52 14.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.68 0.753 . . . . 0.0 111.878 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.734 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.42 145.27 47.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.112 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 m -148.48 -175.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.083 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 159.49 28.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 42' ' ' LEU . 12.2 tm-20 -37.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.569 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.461 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 4.7 mt-30 -47.85 -53.36 15.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.37 -63.55 1.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.6 t80 -42.56 -50.76 5.3 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.753 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -57.63 -62.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' A' ' 81' ' ' PHE . 23.0 t80 -27.91 -40.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 110.673 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -63.73 -41.52 98.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.753 ' N ' ' O ' ' A' ' 81' ' ' PHE . 2.8 mm? -75.33 -11.46 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.047 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.05 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.76 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 87' ' ' LEU . 44.9 tttt -59.03 -22.4 60.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.785 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -29.93 144.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.63 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 60.95 66.84 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.691 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -172.94 52.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.376 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 91' ' ' SER . 53.1 t-20 -156.65 -116.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.484 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.517 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 35.2 t -142.36 33.01 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.608 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.85 -42.61 4.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.264 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -77.88 152.07 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.9 t -111.67 0.09 16.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.639 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.95 138.3 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.616 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -94.0 -156.67 0.51 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -119.97 9.38 11.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -164.57 -58.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.8 m -162.74 143.79 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.755 0 CA-C-O 118.06 -1.411 . . . . 0.0 110.932 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.3 pp20? -78.67 -15.53 58.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.8 tt0 -45.0 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 23.5 m-85 -41.49 -51.5 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 109.852 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.456 ' O ' ' OG ' ' A' ' 9' ' ' SER . 30.4 t-20 -59.21 -29.79 67.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.767 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 1.003 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -81.43 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.128 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -48.77 80.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.197 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 32.2 ttpt -60.41 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 49.4 m -52.76 -27.28 17.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.53 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -59.24 -50.17 75.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 14' ' ' HIS . 9.3 mt -51.26 -45.72 62.15 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LEU . 16.2 tttm -38.41 -56.06 1.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.976 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 t60 -71.41 -63.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.691 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.85 24.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -54.76 -35.5 63.84 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.426 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -88.46 -30.36 19.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 44.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 1.052 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.5 tt -53.82 -85.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 1.052 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -23.75 -62.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -42.39 -46.51 4.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 19' ' ' ILE . 51.9 t-80 -67.33 -24.56 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.758 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 t70 -90.13 -2.11 58.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -70.55 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.707 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' O ' ' N ' ' A' ' 27' ' ' LYS . 9.4 m-85 -110.77 -69.95 0.84 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.588 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.7 mp -40.77 -15.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.346 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' O ' ' A' ' 25' ' ' TYR . 74.5 tttt -6.34 -63.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ILE . 42.7 t0 -155.25 -30.03 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.233 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 30' ' ' ASN . 29.6 mm 53.08 166.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.581 ' N ' HG22 ' A' ' 29' ' ' ILE . 89.0 m-20 -146.92 11.93 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.219 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.55 ' H ' HG22 ' A' ' 29' ' ' ILE . 2.5 tpm_? -136.81 95.6 3.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.208 0.528 . . . . 0.0 111.063 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.04 149.55 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.131 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 m -149.08 134.24 10.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.195 0.522 . . . . 0.0 111.712 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 5.9 p90 -135.5 49.6 2.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 11.8 ptmm? -127.25 43.19 3.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 35' ' ' LYS . 82.4 m-20 -157.27 40.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.099 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 56.29 8.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.346 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 39' ' ' LEU . 39.4 t -146.05 156.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.4 mp -119.8 115.23 23.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.954 0.407 . . . . 0.0 110.776 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 41' ' ' ILE . 5.1 tt -119.67 147.35 44.66 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.569 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.635 ' N ' HD23 ' A' ' 40' ' ' LEU . 16.0 mt -143.77 138.1 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.2 mm? -63.3 136.01 57.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.575 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.2 tp -159.2 97.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' GLU . 21.6 pt-20 -90.82 -40.97 11.47 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.481 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 17.5 m120 -42.84 87.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.983 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' GLU . 35.1 tt0 -32.46 -44.57 0.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.012 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.2 m-85 -60.61 -69.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.52 -34.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.382 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -80.09 -31.76 39.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.984 0.421 . . . . 0.0 110.308 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 47' ' ' PHE . 19.3 t30 -54.94 -45.73 74.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.928 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -47.23 7.88 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.648 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 52' ' ' LEU . 36.3 mt -49.1 -53.13 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.471 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -74.19 -10.79 59.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.845 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.6 -30.58 63.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -148.95 61.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.176 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 58' ' ' ILE . 39.6 t -87.73 45.11 1.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.38 41.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.352 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 60' ' ' HIS . 22.2 mm -65.04 -22.81 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.4 tt -61.75 -1.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.312 0.577 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.507 ' H ' ' C ' ' A' ' 58' ' ' ILE . 5.3 m170 -79.49 -35.05 40.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.095 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.768 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -114.37 -43.29 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.948 0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.24 -32.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -3.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.283 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.713 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.4 t -102.75 96.78 7.08 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.003 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER 154.45 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.895 0.747 . . . . 0.0 109.069 179.435 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.488 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 10.0 p90 -173.85 78.34 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 4.1 pm0 -36.12 130.1 0.66 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.897 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.59 -9.55 1.65 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.7 mm -50.68 110.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.369 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 71' ' ' SER . 19.3 mmtp -81.38 -37.08 28.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 17.3 m -175.62 177.12 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.676 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.65 146.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.685 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 8.1 t-20 -173.0 160.74 4.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.675 0.75 . . . . 0.0 112.222 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.705 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.56 148.32 52.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.202 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.511 HG22 HD21 ' A' ' 40' ' ' LEU . 18.8 m -144.84 -152.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.117 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.46 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -111.76 162.31 15.38 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 111.025 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.28 -72.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.698 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -48.11 -51.13 25.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.68 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -51.45 -62.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.807 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.545 ' CD2' HD22 ' A' ' 40' ' ' LEU . 5.7 t80 -42.54 -42.7 3.44 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.4 t80 -56.65 -65.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.726 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -37.85 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.375 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t30 -78.61 -52.98 7.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.011 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 84' ' ' LEU . 1.3 pp -77.01 -20.32 56.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.85 -21.62 62.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -51.08 -67.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.656 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 mt -41.7 122.21 1.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.751 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.45 49.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -145.94 9.86 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.517 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 -80.13 62.61 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.408 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.7 m -119.92 135.38 54.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.555 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -66.06 -111.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.92 102.53 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.5 t -102.45 -0.16 32.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.962 HD13 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -99.85 6.74 45.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.47 179.79 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.475 ' N ' HD22 ' A' ' 95' ' ' LEU . 1.6 t80 -110.98 -152.78 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' C ' ' N ' ' A' ' 99' ' ' SER . 13.9 tt0 -163.13 146.33 10.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.537 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -47.94 -17.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.53 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 97' ' ' GLN . 28.2 p -175.28 171.06 2.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.005 -1.441 . . . . 0.0 110.932 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.9 pm0 -88.0 -21.36 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.449 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.9 tp-100 -40.52 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 5' ' ' ASN . 1.8 p90 -45.47 -44.91 12.71 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.556 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 14.6 t30 -60.77 -27.83 68.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 0.0 109.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -54.13 -43.75 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.438 . . . . 0.0 109.864 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 15.1 ttpp -67.58 -43.07 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.397 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 18.0 p -62.75 -20.05 64.57 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.174 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -75.42 -30.08 59.93 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.704 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.7 mt -66.82 -43.93 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLU . 14.4 ttmt -39.62 -52.03 2.24 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -42.57 65.38 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -67.15 -62.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.824 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -89.66 29.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.916 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.0 tt0 -52.0 -59.75 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.034 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -78.05 4.33 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.034 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -132.41 39.84 3.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.335 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.706 HG23 ' N ' ' A' ' 20' ' ' GLY . 13.6 tt -75.42 -59.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.706 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -28.98 -62.17 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -44.38 -47.58 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 109.999 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.6 t-80 -66.26 -38.43 87.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.69 -16.54 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.668 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 tptt -100.26 -50.3 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -87.33 -81.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.162 0.506 . . . . 0.0 111.829 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 29' ' ' ILE . 69.5 mt -47.54 -33.4 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.078 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 29' ' ' ILE . 46.5 tttp -37.93 -61.7 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.304 . . . . 0.0 111.283 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 66.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.679 HD11 ' HB3' ' A' ' 42' ' ' LEU . 3.7 tp -167.63 165.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -176.82 43.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.49 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.18 109.61 10.56 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -146.03 135.98 23.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.631 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.9 m -132.34 131.54 60.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.367 0.603 . . . . 0.0 112.042 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 66' ' ' TYR . 3.3 t80 -128.16 132.94 48.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.941 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 177.16 -20.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.799 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.634 ' C ' ' H ' ' A' ' 38' ' ' VAL . 7.8 p-10 -119.4 50.29 1.26 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.1 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.581 ' ND2' ' O ' ' A' ' 37' ' ' ASN . 0.3 OUTLIER 54.27 -2.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.752 179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.634 ' H ' ' C ' ' A' ' 36' ' ' ASN . 86.9 t -119.63 153.31 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 38' ' ' VAL . 5.1 mp -126.38 125.58 42.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.431 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.85 145.01 44.89 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.656 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -139.9 135.63 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.679 ' HB3' HD11 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -61.86 135.45 57.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.158 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.8 tp -154.41 105.19 2.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 46' ' ' GLU . 9.6 pt-20 -90.2 -54.15 4.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.261 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 m-80 -38.06 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 110.796 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 44' ' ' GLU . 8.7 tp10 -40.71 -41.14 1.46 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' ASN . 79.0 t80 -61.31 -67.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.21 -29.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.601 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 0.0 OUTLIER -85.29 -33.9 22.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 109.956 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.5 t-20 -52.59 -45.89 66.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.363 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.41 -46.32 8.43 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.981 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 52' ' ' LEU . 30.5 mt -48.94 -56.26 9.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.249 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.601 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.2 OUTLIER -69.53 -12.81 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.701 -179.603 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -72.39 -28.27 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -162.17 72.06 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 58' ' ' ILE . 3.4 p -100.31 55.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -70.6 41.54 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.294 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 58' ' ' ILE . 86.3 mt -68.96 -7.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -77.73 0.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.42 0.629 . . . . 0.0 109.544 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -80.79 -22.72 39.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.926 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -126.82 -37.37 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.716 0.294 . . . . 0.0 110.511 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.17 -32.49 48.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -69.1 31.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.445 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 62' ' ' ALA . 23.4 p -123.16 -37.55 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.319 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -90.01 -29.74 18.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 60.2 m-85 -118.98 50.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.042 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' TYR . 4.0 pt-20 -31.39 110.81 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.109 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.537 ' O ' ' ND2' ' A' ' 37' ' ' ASN . . . 122.31 3.24 9.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -46.5 125.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.081 0.467 . . . . 0.0 110.994 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -86.61 -34.46 19.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.652 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m 174.04 -171.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.322 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -147.2 144.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.941 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 19.6 t-20 -159.83 156.74 27.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.451 0.643 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.663 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.93 148.27 48.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.497 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.1 m -145.96 -152.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.577 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 26.6 t-20 -112.47 172.27 7.02 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.778 0.799 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.577 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 75.3 mm-40 -38.3 -73.14 0.05 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.81 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -50.6 -51.8 45.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.115 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -51.43 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.156 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE2' HD23 ' A' ' 84' ' ' LEU . 33.0 t80 -43.06 -44.29 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -56.86 -66.83 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.89 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' PHE . 74.5 t80 -31.8 -35.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . 26.0 t-20 -80.01 -54.01 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.025 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.945 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -71.94 -16.33 62.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.03 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.88 -4.06 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.47 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -142.76 80.67 1.7 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.986 0.422 . . . . 0.0 110.425 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 1.026 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -80.87 -11.1 59.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.377 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' A' ' 90' ' ' ASN . 79.6 mt-10 -42.26 -98.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.859 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 56.96 1.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.626 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 88' ' ' GLU . 25.9 t-20 41.04 -161.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.599 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.493 ' H ' ' CG ' ' A' ' 90' ' ' ASN . 1.4 t 167.87 -10.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 173.15 114.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.368 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' ' 94' ' ' THR . 26.8 t0 45.15 -140.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.493 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 9.8 t -53.03 -177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -88.45 -167.13 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -97.37 19.62 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -159.77 97.3 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -167.03 167.37 14.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.1 p -162.56 30.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.685 0 CA-C-O 118.032 -1.427 . . . . 0.0 110.896 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 mtt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' ALA . 56.7 mm-40 -86.97 -43.17 12.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.613 ' NE2' ' N ' ' A' ' 4' ' ' PHE . 0.9 OUTLIER -44.37 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.706 -179.82 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.613 ' N ' ' NE2' ' A' ' 3' ' ' GLN . 1.5 t80 -43.22 -51.0 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -59.34 -25.3 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -83.6 -62.14 1.66 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.06 -48.38 80.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.05 -19.83 21.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.598 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -69.15 -37.82 78.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.6 mt -61.95 -46.99 86.89 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 16' ' ' GLU . 5.8 mmtp -38.15 -56.44 1.18 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -48.85 -42.33 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 109.75 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.3 t60 -69.91 -64.37 0.9 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.299 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -84.94 26.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.718 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.5 tm-20 -52.14 -49.05 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -94.73 -14.59 24.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -105.95 34.08 3.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 20' ' ' GLY . 14.8 tt -74.98 -55.14 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.662 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -31.22 -43.58 0.1 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 41.8 t80 -58.77 -50.78 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 44.1 t-80 -59.84 -56.25 24.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.465 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.41 -14.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.065 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -68.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 48' ' ' ALA . 61.7 m-85 -68.1 -70.44 0.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 111.359 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' ASP . 25.6 mt -64.29 -61.62 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.699 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 22' ' ' HIS . 41.9 tttm 60.18 -72.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.23 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ILE . 24.8 t0 -155.41 129.03 8.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.772 HG22 ' H ' ' A' ' 31' ' ' ARG . 33.6 mm -108.61 167.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.218 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.577 ' N ' HG22 ' A' ' 29' ' ' ILE . 12.7 t-20 -139.75 3.79 2.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.772 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.2 mmt180 -134.37 92.32 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -144.6 125.81 14.68 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.48 144.03 33.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.214 0.53 . . . . 0.0 111.964 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 2.9 t80 -121.67 56.59 1.06 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.592 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 41.1 mttm -121.98 111.08 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 9.9 t30 139.66 -56.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' ' O ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER 160.33 -13.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.424 179.005 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG12 ' H ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -119.05 179.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.283 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.565 ' H ' HG12 ' A' ' 38' ' ' VAL . 4.6 mp -125.08 123.1 39.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.991 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -117.92 143.18 46.57 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mt -147.09 142.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.939 0.399 . . . . 0.0 111.153 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' CB ' ' A' ' 31' ' ' ARG . 4.1 mm? -70.07 140.92 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -163.93 77.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.83 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.55 -44.69 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.823 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -38.76 101.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 13.2 pt-20 -59.39 -28.63 67.08 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.014 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.6 m-85 -74.19 -73.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -41.53 -34.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.479 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.08 -36.46 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 47' ' ' PHE . 40.9 t30 -54.59 -58.55 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.429 0.633 . . . . 0.0 110.422 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.72 -47.65 62.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.317 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.0 mt -48.74 -52.34 24.22 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.698 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -76.06 -11.72 59.99 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.968 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.63 -25.92 59.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -166.64 60.18 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 57' ' ' GLU . 1.8 t -77.17 -97.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.905 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.6 mt-10 77.17 22.4 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.977 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 58' ' ' ILE . 4.6 mm -47.12 -1.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.222 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.688 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.6 tt -86.13 -25.31 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.905 ' ND1' ' O ' ' A' ' 57' ' ' GLU . 40.0 p-80 -56.97 -11.42 1.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.548 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.883 HD11 ' CE1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -124.19 -49.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.867 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 11.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 61' ' ' LEU . 9.6 pt-20 -90.25 27.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.777 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.5 t -120.54 -64.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD21 ' HB1' ' A' ' 6' ' ' ALA . 1.8 mm? -43.96 -29.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.521 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 6.0 m-85 -118.45 154.28 32.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.358 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -47.16 -14.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' TYR . . . 143.49 90.08 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 39' ' ' LEU . 4.8 mm -44.96 154.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.363 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' HG22 ' A' ' 69' ' ' ILE . 3.3 tmtm? -88.47 -40.07 13.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.119 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -179.54 -178.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.566 ' N ' ' OG ' ' A' ' 71' ' ' SER . 22.5 t -148.46 146.49 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.72 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 12.4 t-20 -164.94 155.02 13.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.365 0.602 . . . . 0.0 111.879 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -127.3 150.89 49.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.286 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 m -150.14 -153.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.59 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.8 t-20 -121.86 173.39 7.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.817 0.818 . . . . 0.0 111.527 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.59 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 25.6 mt-10 -37.16 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.338 -178.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -48.26 -50.29 30.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.259 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.27 -65.98 0.47 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.551 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 1.8 t80 -48.32 -36.19 13.82 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -24.22 66.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.695 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -80.04 -28.09 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.137 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.19 24.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.4 mm? -93.34 -71.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -67.64 -34.57 77.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.687 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 85' ' ' ALA . 43.0 tptt -25.12 -43.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -50.57 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.261 179.764 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' LYS . 55.9 mm-40 -119.26 163.23 17.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.559 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 44.2 mt-10 -100.74 -95.77 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 89' ' ' GLU . 3.5 m-20 167.4 145.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.093 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.1 t -162.89 21.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.75 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 16.5 mtm-85 -77.75 -80.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.634 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 92' ' ' ARG . 26.2 m-20 -165.47 8.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.26 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.453 ' H ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -51.85 99.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.746 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 mp -77.59 -169.96 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.096 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -58.73 116.18 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' SER . 15.4 mm100 -130.47 78.48 1.85 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.626 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 66.3 -44.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.629 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLN . 35.0 t -140.38 -40.8 0.42 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.723 0 CA-C-O 118.016 -1.436 . . . . 0.0 110.972 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.539 ' O ' ' CE2' ' A' ' 4' ' ' PHE . 3.6 tpt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.4 pt-20 -65.25 -10.52 32.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.661 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 6' ' ' ALA . 42.3 tt0 -44.83 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.277 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.539 ' CE2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -43.64 -46.63 7.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.55 -32.0 68.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.21 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -70.01 -54.75 11.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.475 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -43.4 80.33 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.225 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -60.38 -55.7 30.38 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 t -55.55 -27.21 47.66 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.429 -0.908 . . . . 0.0 108.596 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.3 85.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.253 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.7 mt -62.33 -44.97 95.26 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.831 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ttpp -36.42 -59.89 0.62 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -48.59 -40.43 27.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.104 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.9 t-80 -68.63 -62.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.501 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.04 25.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.065 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -50.07 -26.11 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.128 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -95.91 -39.7 9.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.11 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.89 35.83 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.919 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.1 tt -52.0 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.945 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.919 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -30.24 -57.82 0.23 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' GLY . 81.3 t80 -40.88 -49.76 3.21 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' ILE . 41.5 t-80 -61.9 -57.0 13.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.945 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -57.04 -5.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.067 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -93.9 -74.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.684 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.3 m-85 -101.94 -62.33 1.27 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.298 -178.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 mm -42.02 -15.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.52 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -82.35 -75.9 0.28 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.668 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -38.65 -66.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 30' ' ' ASN . 96.7 mt -43.64 163.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.586 ' N ' HG22 ' A' ' 29' ' ' ILE . 64.6 t30 -172.66 47.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.627 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -131.97 112.89 12.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.488 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -151.4 147.77 27.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.791 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -149.84 143.19 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 4.3 p90 -136.15 62.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.742 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 11.6 tptp -121.32 71.71 0.97 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.935 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 3.0 m120 179.47 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.474 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.511 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 4.1 p30 154.4 -17.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.902 179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.745 HG12 ' N ' ' A' ' 39' ' ' LEU . 46.1 t -119.85 176.17 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.745 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.2 mp -125.92 123.88 39.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.366 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.68 145.96 45.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.793 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.24 134.84 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.283 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.0 mm? -67.11 132.38 47.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -160.5 98.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.164 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -89.98 -29.53 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -44.29 114.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.15 -33.81 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.028 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 50' ' ' ASN . 7.6 m-85 -75.55 -75.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 110.344 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' PHE . . . -37.24 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.2 ttp85 -85.89 -33.77 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.4 t-20 -55.25 -41.79 72.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.22 0.533 . . . . 0.0 110.884 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.05 -48.92 6.89 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.431 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 52' ' ' LEU . 19.2 mt -45.92 -56.4 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.2 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -71.96 -9.8 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.216 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -74.97 -31.36 61.44 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -166.82 95.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.564 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 7.6 m -148.99 78.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.374 . . . . 0.0 111.198 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 57' ' ' GLU . 1.6 pm0 -79.41 50.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.022 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 mm -53.69 -2.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.024 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.539 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.4 tt -89.95 1.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.413 0.625 . . . . 0.0 109.655 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -82.78 -23.34 33.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.155 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.59 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.65 -38.04 2.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.228 0.537 . . . . 0.0 109.781 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 69' ' ' ILE . . . -56.83 4.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.333 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.0 mm-40 -79.53 -94.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.363 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 63' ' ' GLU . 22.1 t -3.08 -66.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.402 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 63' ' ' GLU . 35.3 tp -40.74 -33.33 0.28 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.572 0.225 . . . . 0.0 110.871 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' GLU . 4.8 m-85 -117.73 -174.33 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.087 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.86 -27.19 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.15 83.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.526 HD12 ' CD1' ' A' ' 39' ' ' LEU . 12.6 mm -44.54 148.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.674 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -85.61 -38.26 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.297 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -178.42 -179.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.0 t -147.69 146.09 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.747 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 58.3 t30 -167.84 162.6 13.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.332 0.587 . . . . 0.0 111.809 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.53 148.37 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.699 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -168.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.822 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -87.17 160.61 18.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.225 0.536 . . . . 0.0 111.428 -179.403 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' CA ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -38.61 -70.33 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.678 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . 0.477 ' H ' ' CD ' ' A' ' 78' ' ' GLN . 18.8 mp0 -45.94 -54.62 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.681 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.94 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.85 -46.04 3.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 85' ' ' ALA . 3.5 t80 -54.67 -64.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.918 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' PHE . 50.1 t80 -32.99 -36.04 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 6.9 t30 -74.61 -50.76 16.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.939 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 81' ' ' PHE . 44.1 tp -75.5 -19.03 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.36 -40.59 15.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 88' ' ' GLU . 54.8 tttm -72.5 -70.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 60.87 -73.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.228 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 86' ' ' LYS . 40.8 mt-10 -133.19 172.44 12.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.33 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 28.6 mm-40 -70.92 -21.49 62.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 89' ' ' GLU . 25.3 m-80 -152.03 -127.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.5 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 92' ' ' ARG . 43.5 p -126.69 -9.42 6.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 91' ' ' SER . 49.0 mtp85 37.65 92.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -125.2 136.5 53.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.41 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 94' ' ' THR . 11.1 t -79.44 127.1 31.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.677 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 95' ' ' LEU . 8.7 mp -84.22 -169.82 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.259 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.65 38.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.347 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.463 ' H ' ' C ' ' A' ' 95' ' ' LEU . 57.5 mt-30 -142.55 105.61 4.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 98' ' ' ASN . 8.3 p-10 -175.58 136.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.3 p -156.84 121.98 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.705 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.934 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptt? . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 6' ' ' ALA . 46.1 mt-10 -88.17 -46.3 9.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.458 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 6' ' ' ALA . 62.5 tt0 -39.52 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -44.91 -45.71 10.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -67.95 -21.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.282 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -85.36 -65.62 0.99 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.732 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.26 -39.64 60.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -74.01 -42.61 60.08 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.721 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -61.22 -23.81 65.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.462 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.93 -46.49 74.63 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.773 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 12' ' ' LYS . 51.1 mt -49.44 -57.54 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 11' ' ' LEU . 31.6 mtpt -31.13 -49.15 0.13 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.946 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 10.5 mmmt -49.65 -48.15 49.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.086 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 16' ' ' GLU . 13.5 t-80 -91.72 -41.77 10.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.514 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.31 20.62 0.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 14' ' ' HIS . 67.7 tt0 -80.45 -46.3 16.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.927 0.394 . . . . 0.0 110.282 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -76.91 -14.06 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.272 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -96.9 17.42 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.01 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.6 tt -62.03 1.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 18' ' ' THR . . . -92.04 -66.86 1.12 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 56.6 t80 -48.65 -32.22 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' LYS . 16.6 t-80 -66.2 -70.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.398 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.69 -29.97 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.631 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -84.69 -75.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.77 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.75 ' CD2' ' HB2' ' A' ' 48' ' ' ALA . 52.6 m-85 -75.68 -72.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.254 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' ASP . 11.7 mm -53.42 -55.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.625 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' HIS . 58.9 tttm 46.83 -91.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.348 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -89.79 -91.11 0.14 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.082 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.629 ' O ' ' O ' ' A' ' 28' ' ' ASP . 38.7 mm 43.61 116.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.001 0.429 . . . . 0.0 111.099 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -140.53 36.8 1.84 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.37 113.97 20.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.185 0.517 . . . . 0.0 110.206 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 16.5 p90 -161.35 153.2 19.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.04 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.1 m -153.21 152.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.116 0.484 . . . . 0.0 111.481 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 10.9 t80 -131.21 51.2 2.16 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.742 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -119.65 55.21 0.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -173.05 38.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 53.85 11.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.378 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 39' ' ' LEU . 43.9 t -149.79 164.51 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.233 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.585 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.1 mp -117.64 120.0 36.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.084 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' CG2' ' A' ' 75' ' ' VAL . 2.2 mt -119.69 140.13 51.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.033 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.1 mt -133.75 132.07 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.7 mm? -57.8 126.22 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.741 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -161.91 87.94 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.597 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 5.8 mp0 -78.44 -26.05 46.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -48.1 122.45 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.4 tp10 -71.08 -52.61 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.502 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.15 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.986 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.75 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -47.9 -60.93 2.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -49.98 -43.62 50.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -47.84 -56.85 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.668 0.746 . . . . 0.0 110.786 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -39.71 68.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.677 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.73 -48.0 82.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.158 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -74.58 -19.42 60.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.92 -25.68 65.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.624 0.726 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -169.47 107.97 0.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.72 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -154.45 82.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.651 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.08 50.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.651 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mm -62.18 -15.11 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.296 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.478 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.1 tt -73.68 3.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.384 0.612 . . . . 0.0 109.356 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.42 -45.39 19.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.48 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.957 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -97.16 -36.57 10.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.774 -179.242 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.67 -35.91 75.39 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.781 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' A' ' 59' ' ' ILE . 11.9 pt-20 -66.31 34.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 62' ' ' ALA . 22.8 t -122.28 -27.72 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.75 -32.53 17.87 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.613 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 37.4 p90 -166.96 107.17 0.62 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 69' ' ' ILE . 84.2 mt-10 -46.83 -11.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.085 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -52.19 -4.3 0.12 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.557 ' H ' ' C ' ' A' ' 67' ' ' GLU . 4.8 mm -76.07 103.0 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 111.138 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -83.41 -32.6 26.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.052 0.453 . . . . 0.0 109.806 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.9 t 177.34 -173.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.922 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.538 ' N ' ' OG ' ' A' ' 71' ' ' SER . 15.4 t -147.43 146.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.367 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -166.65 156.37 11.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.585 0.707 . . . . 0.0 111.802 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -123.44 141.61 51.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.381 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.433 ' CG2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -154.32 -174.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.43 . . . . 0.0 110.771 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.89 157.16 27.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.04 -31.18 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.659 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.3 -52.88 16.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.061 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -62.73 -49.41 75.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.549 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -52.47 -36.96 55.99 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' A' ' 85' ' ' ALA . 27.3 t80 -62.84 -49.12 76.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.26 -28.43 53.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.471 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -78.19 -47.62 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.742 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 84' ' ' LEU . 2.2 tp -83.56 -5.09 59.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -106.14 13.8 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.932 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -118.21 -8.44 10.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.832 0.348 . . . . 0.0 110.506 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.06 91.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.942 -179.788 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 86' ' ' LYS . 24.7 mt-10 42.3 -149.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.805 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -140.61 5.69 2.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -73.91 131.97 42.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.474 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -161.15 41.26 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.737 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -76.57 149.49 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.231 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.57 ' O ' ' C ' ' A' ' 94' ' ' THR . 15.0 m-20 -149.63 14.69 0.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.57 ' C ' ' O ' ' A' ' 93' ' ' ASP . 7.5 t 1.88 112.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.069 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 95' ' ' LEU . 9.8 mp -53.74 -166.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.424 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.535 ' CE2' ' O ' ' A' ' 97' ' ' GLN . 72.2 t80 -39.34 145.74 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.69 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 10.4 pm0 -144.55 -143.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -151.05 127.92 10.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 110.622 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.5 t -161.89 -13.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 118.064 -1.409 . . . . 0.0 110.962 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 pt-20 -75.49 -19.31 59.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 15.0 tt0 -36.93 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.211 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -51.66 -36.57 46.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.396 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -59.84 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 3' ' ' GLN . . . -68.71 -55.81 10.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.151 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.851 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -59.85 -36.83 77.67 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.069 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 11' ' ' LEU . 19.5 ttpp -55.32 -57.45 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.986 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -49.5 -40.51 37.84 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 61' ' ' LEU . 1.1 mt -53.39 -33.25 53.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.351 -0.539 . . . . 0.0 109.75 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 11.7 mt -75.95 -28.64 58.0 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.598 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -54.8 -63.7 1.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.189 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -53.24 -39.26 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' HD21 ' A' ' 61' ' ' LEU . 4.0 t-80 -65.32 -68.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.185 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.461 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.8 m-85 -73.33 19.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.493 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.01 2.12 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 15' ' ' TYR . 22.8 mtmm -130.23 11.53 5.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.642 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.04 44.36 2.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.747 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -58.23 -75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.172 -179.546 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -23.0 -64.9 0.03 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -40.75 -46.54 2.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.858 0.361 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 19' ' ' ILE . 36.9 t-80 -58.2 -60.19 4.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.219 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.94 -5.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 4.3 tptp -84.7 -71.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.671 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.485 ' CD2' ' CG ' ' A' ' 45' ' ' ASN . 24.5 m-85 -107.52 -67.81 0.93 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . 73.8 mt -41.21 -43.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 35.83 -94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.63 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ILE . 22.2 p-10 -147.53 120.69 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 30' ' ' ASN . 3.4 mt -130.84 168.45 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.913 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' H ' HG22 ' A' ' 29' ' ' ILE . 14.6 m120 -153.63 39.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.617 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -135.68 109.87 8.34 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -147.17 167.72 23.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.152 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.6 m -141.37 116.02 5.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 111.377 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -127.24 131.48 50.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.387 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 33.8 mtmm -129.9 -52.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.291 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.3 t-20 163.37 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' C ' HG23 ' A' ' 38' ' ' VAL . 52.5 t30 -80.26 -49.87 11.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.415 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG12 ' N ' ' A' ' 39' ' ' LEU . 56.4 t -152.35 166.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.572 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.65 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.1 mp -125.02 126.28 45.17 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.295 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.39 147.24 43.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.6 mt -140.86 139.46 34.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.157 0.503 . . . . 0.0 111.864 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 4.1 mm? -58.95 129.18 40.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' VAL . 18.3 tp -160.15 114.2 2.21 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.77 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -88.6 -69.92 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 25' ' ' TYR . 11.4 m-80 -30.89 89.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 21.7 tt0 -38.01 -38.82 0.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' ASN . 41.1 m-85 -63.46 -66.83 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -36.41 -31.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.543 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 2.2 mtm180 -82.65 -31.94 28.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.485 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 47' ' ' PHE . 44.8 t-20 -70.77 -22.07 62.43 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.256 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.74 -60.01 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.155 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 56' ' ' SER . 56.6 mt -50.28 -35.64 28.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.839 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -95.53 -15.33 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 23.6 t0 -91.52 -26.73 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -157.24 95.97 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.304 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.585 ' OG ' HD11 ' A' ' 58' ' ' ILE . 5.7 t -161.88 -60.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mt-10 69.89 52.18 0.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.636 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.585 HD11 ' OG ' ' A' ' 56' ' ' SER . 27.5 mm -61.4 -0.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.177 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.0 tt -88.04 -7.36 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -76.56 -23.73 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.813 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.979 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.16 -41.09 4.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.55 -20.16 30.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.929 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -5.09 30.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 -178.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.4 m -99.43 -34.95 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.282 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -89.49 -34.03 16.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.092 0.472 . . . . 0.0 109.807 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -119.2 109.5 15.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -83.83 121.55 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 15.71 18.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.59 122.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -85.88 -34.02 21.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.938 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.614 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.5 t 174.1 -170.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.216 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.614 ' N ' ' OG ' ' A' ' 71' ' ' SER . 25.6 t -143.45 140.56 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.96 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -141.43 157.87 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.57 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.694 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -147.94 139.45 23.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.922 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' LEU . 21.7 m -149.6 -169.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.564 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.746 HD22 ' H ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -78.68 160.22 27.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.837 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -52.04 -30.59 26.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.108 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.52 -56.7 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.491 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASP . . . . . 0.746 ' H ' HD22 ' A' ' 76' ' ' ASN . 52.7 t0 -55.15 -50.36 69.49 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.947 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.5 t80 -52.66 -43.14 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.949 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.49 -13.29 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -74.05 -39.19 63.67 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.94 -33.25 71.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.974 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.71 -17.49 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.752 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.19 -30.29 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.667 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' LEU . 14.7 ttmt -43.53 -53.3 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 87' ' ' LEU . 10.7 mp -36.56 104.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.53 162.57 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.632 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.26 19.08 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.553 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.601 HD22 ' H ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -62.77 -128.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.562 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 90' ' ' ASN . 4.7 t -155.86 -151.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.534 ' N ' ' HE ' ' A' ' 92' ' ' ARG . 2.2 mmp_? -77.0 68.89 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.511 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -157.88 -6.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 94' ' ' THR . 0.5 OUTLIER -68.94 132.42 46.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.603 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.726 ' H ' ' CD2' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -65.87 85.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.384 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 53.0 t80 -136.88 3.45 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.532 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -160.35 88.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 99' ' ' SER . 14.3 t-20 -150.68 176.59 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.5 ' N ' ' OD1' ' A' ' 98' ' ' ASN . 20.3 p -160.99 170.4 20.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.581 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 117.933 -1.482 . . . . 0.0 110.918 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.532 ' SD ' ' N ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.532 ' N ' ' SD ' ' A' ' 1' ' ' MET . 24.4 pt-20 -80.63 -15.16 57.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' ALA . 40.7 tt0 -45.89 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -41.98 -52.09 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.235 0.541 . . . . 0.0 109.724 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -28.82 64.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.539 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.955 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -80.34 -58.01 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.106 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.2 t80 -60.8 -47.77 84.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.85 -48.45 78.98 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.11 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.2 m -54.5 -29.84 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.911 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -61.7 -46.59 89.03 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLU . 32.8 ttpt -40.26 -57.18 1.79 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.73 -42.77 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 0.0 109.788 178.371 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.04 -58.83 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.275 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -95.38 34.02 1.5 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.4 tt0 -63.92 -57.64 9.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.632 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -83.31 9.54 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.598 HG22 ' HB3' ' A' ' 21' ' ' PHE . 5.0 m -96.77 52.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -59.91 -83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -19.02 -45.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.397 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.2 t80 -68.66 -42.0 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.366 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.758 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.7 t-80 -70.07 -16.57 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.55 -11.71 31.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.977 0.418 . . . . 0.0 110.122 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -86.59 -69.85 0.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.245 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.656 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 13.3 m-85 -119.81 -63.46 1.37 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mp -40.41 -15.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -178.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 25' ' ' TYR . 59.5 tttp -11.31 -61.17 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.786 0.327 . . . . 0.0 111.758 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ILE . 16.8 t70 -168.85 96.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 mt -77.89 171.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -145.49 6.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.212 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CB ' HD23 ' A' ' 42' ' ' LEU . 22.6 mmt180 -131.46 98.83 4.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -151.67 129.27 11.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -142.59 155.16 18.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.675 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.684 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.13 122.78 40.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.998 179.004 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -119.07 -70.23 0.8 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.44 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASN . . . . . 0.513 ' O ' HG23 ' A' ' 38' ' ' VAL . 9.3 t-20 -119.72 82.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.752 0.31 . . . . 0.0 110.936 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 49.4 m-20 49.4 13.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.53 ' C ' HD12 ' A' ' 39' ' ' LEU . 78.5 t -119.65 143.13 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 38' ' ' VAL . 9.2 mp -121.19 120.75 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.314 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.35 143.54 46.55 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.3 mt -140.81 135.44 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.056 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 80' ' ' PHE . 3.9 mm? -60.87 137.61 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.8 tp -163.34 97.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 179.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.46 -33.73 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.656 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -43.2 124.07 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.55 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' ASN . 47.3 m-85 -66.28 -67.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.498 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -39.0 -39.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -76.65 -36.86 57.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' PHE . 48.9 t-20 -50.1 -48.25 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.393 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -41.91 11.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.887 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 52' ' ' LEU . 23.7 mt -51.2 -60.81 2.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.701 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -66.46 -13.77 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.788 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -71.12 -27.92 63.93 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -167.0 98.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 58' ' ' ILE . 24.8 p -132.73 67.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.433 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.563 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 14.4 mt-10 -71.26 41.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.772 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 58' ' ' ILE . 78.2 mt -64.18 -5.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.063 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 63' ' ' GLU . 4.6 tt -90.75 -8.66 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.337 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.578 ' CE1' HD21 ' A' ' 61' ' ' LEU . 1.8 p-80 -85.61 -2.67 58.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.75 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.739 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.28 -45.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.844 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.87 -23.12 63.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.001 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' ILE . 9.1 pt-20 -63.58 33.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.63 -178.68 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.595 ' H ' ' C ' ' A' ' 62' ' ' ALA . 89.3 p -126.17 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.642 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.955 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -43.27 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -119.36 165.19 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.68 -22.66 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.39 91.6 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 39' ' ' LEU . 4.5 mm -49.86 144.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.425 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -81.07 -40.19 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.41 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -175.61 178.16 1.63 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -148.87 148.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.537 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -172.29 160.64 5.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.61 0.719 . . . . 0.0 112.187 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -128.22 146.86 50.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.026 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 43' ' ' LEU . 17.0 m -146.34 -157.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.275 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' A' ' 77' ' ' GLU . 1.2 m-20 -105.51 161.79 14.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.009 -179.549 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 14.0 mm-40 -35.52 -70.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.625 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -49.58 -49.97 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 111.059 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -63.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.57 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CD1' HD21 ' A' ' 42' ' ' LEU . 5.9 t80 -45.45 -44.46 12.28 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.172 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.516 ' O ' ' N ' ' A' ' 83' ' ' ASN . 53.2 t80 -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.953 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' PHE . 20.2 t80 -36.08 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.867 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.5 t-20 -75.67 -51.62 12.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.798 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.527 ' O ' HD13 ' A' ' 87' ' ' LEU . 2.0 pp -83.75 -18.76 36.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 81' ' ' PHE . . . -62.39 -3.18 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . 0.644 ' C ' ' H ' ' A' ' 88' ' ' GLU . 2.7 tppp? -94.32 -86.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 84' ' ' LEU . 5.7 mp 62.23 -31.44 0.09 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.644 ' H ' ' C ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER 82.97 -73.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.923 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' SER . 4.2 tp10 -96.11 16.39 18.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.902 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 42.07 20.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.613 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 92' ' ' ARG . 46.8 t -152.01 -141.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.619 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.515 ' N ' ' OG ' ' A' ' 91' ' ' SER . 16.0 mtt-85 -86.07 115.0 23.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.1 105.54 15.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 94' ' ' THR . 10.1 t -106.2 67.17 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.611 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' H ' HD12 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -87.34 149.75 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.292 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -46.35 172.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.517 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -135.92 159.16 42.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -74.15 -169.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.6 t -159.95 -12.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.781 0 CA-C-O 118.086 -1.397 . . . . 0.0 110.926 -179.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 . . . . . 0 N--CA 1.457 -0.093 0 CA-C-O 120.809 0.338 . . . . 0.0 110.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 tt0 -44.37 -72.6 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -48.68 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.473 ' ND2' ' OG ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -59.52 -30.01 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.584 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.7 -58.55 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -63.41 -47.22 82.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.714 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.62 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 26.3 ttpt -62.71 -51.69 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.54 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.473 ' OG ' ' ND2' ' A' ' 5' ' ' ASN . 62.8 m -56.79 -27.38 59.67 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.286 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -59.92 -43.79 94.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.1 mt -57.29 -47.28 81.88 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 32.2 ttpt -35.99 -62.15 0.45 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.879 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -40.53 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.131 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.3 t-80 -69.13 -57.64 5.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.511 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.3 m-85 -92.72 31.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.687 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LYS . 15.8 pt-20 -72.4 21.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.76 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 15' ' ' TYR . 42.0 mtmt -150.23 -25.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.407 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.09 35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.317 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.011 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.0 tt -44.63 -74.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.115 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 1.011 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.69 -49.35 0.05 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.871 -0.491 . . . . 0.0 111.871 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -53.71 -52.46 60.01 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.585 ' N ' ' O ' ' A' ' 19' ' ' ILE . 54.9 t-80 -55.78 -58.69 6.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.208 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.95 -7.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 21.2 tttp -88.34 -77.1 0.37 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.705 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 29.9 m-85 -111.49 -70.05 0.83 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.589 ' O ' ' C ' ' A' ' 27' ' ' LYS . 6.7 mm -36.48 -25.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.043 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.0 ttmt 7.43 -102.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.699 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -140.73 81.23 1.79 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.764 0.316 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -76.58 -162.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.89 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.524 ' H ' HG22 ' A' ' 29' ' ' ILE . 59.0 t30 -171.2 22.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.575 ' CB ' HD23 ' A' ' 42' ' ' LEU . 21.0 mmt180 -129.95 96.92 4.33 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.298 0.571 . . . . 0.0 110.675 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -155.4 141.0 17.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.89 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.23 153.77 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.509 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' A' ' 35' ' ' LYS . 3.8 t80 -129.08 131.24 47.26 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.509 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.446 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 1.4 mtpp 173.6 45.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 179.11 41.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.268 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 58.56 -6.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.654 ' H ' ' C ' ' A' ' 36' ' ' ASN . 85.5 t -119.71 161.03 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 38' ' ' VAL . 8.0 mp -130.04 132.21 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.625 HD21 HG22 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -118.75 142.97 47.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 40' ' ' LEU . 4.7 mp -140.98 138.53 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.48 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.575 HD23 ' CB ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -57.08 136.55 56.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.063 -179.286 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.9 tp -173.45 94.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.127 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.75 -40.49 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 23.3 m120 -41.05 116.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -60.81 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 50' ' ' ASN . 39.0 m-85 -62.46 -67.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.518 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -37.77 -39.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -75.87 -34.91 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 47' ' ' PHE . 46.8 t30 -56.5 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.707 0.765 . . . . 0.0 110.146 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -50.32 73.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.835 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 52' ' ' LEU . 31.7 mt -50.38 -51.26 47.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 3.9 p30 -77.37 -15.64 59.28 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.682 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 73.0 m-20 -74.06 -25.79 60.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.27 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 179.0 92.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.369 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -129.67 -71.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.515 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.531 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 3.1 mt-10 72.28 50.07 0.21 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 58' ' ' ILE . 38.8 mm -57.58 0.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.862 0.363 . . . . 0.0 110.453 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' A' ' 57' ' ' GLU . 2.8 tt -86.42 -28.28 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' OE1' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -51.53 -17.4 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.51 178.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.918 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.96 -42.39 2.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.467 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.21 1.55 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.15 18.8 5.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.576 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -114.96 -31.44 6.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' A' ' 3' ' ' GLN . 39.7 tp -79.28 -26.33 42.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.465 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 15.6 m-85 -119.07 168.46 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.458 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.0 mp0 -49.43 -49.41 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.53 89.15 0.07 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.422 HD12 HD13 ' A' ' 39' ' ' LEU . 4.6 mm -48.52 150.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.736 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -92.97 -35.23 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p 177.82 -176.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.447 . . . . 0.0 110.844 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -150.78 150.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.837 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 74' ' ' PHE . 1.6 t-20 -157.5 151.18 24.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.257 0.551 . . . . 0.0 111.714 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -126.77 147.67 49.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.471 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.625 HG22 HD21 ' A' ' 40' ' ' LEU . 9.6 m -146.64 -161.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -97.42 159.6 14.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.568 ' HA ' HD11 ' A' ' 42' ' ' LEU . 25.0 tt0 -48.29 -36.64 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.312 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.39 -53.23 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.327 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.37 -50.84 72.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.48 . . . . 0.0 110.253 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CD2' HD21 ' A' ' 42' ' ' LEU . 7.2 t80 -50.69 -41.26 55.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.03 -35.59 77.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.071 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.66 -27.67 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CG ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -67.95 -43.43 79.08 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.565 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -84.33 -16.7 42.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.861 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.38 -23.59 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.722 0.296 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -36.97 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.587 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 74.8 t80 -63.98 -47.5 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.52 -37.01 74.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.712 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -39.91 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -34.49 78.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -64.07 -49.02 73.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.326 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t -59.81 -24.9 64.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -65.54 -39.47 91.79 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.749 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.5 mt -59.17 -42.04 89.84 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLU . 18.5 ttpp -37.2 -56.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.92 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.38 -41.49 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -67.3 -63.21 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.73 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.35 26.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.3 tm-20 -50.35 -55.75 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.174 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -78.95 2.1 21.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.281 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 18' ' ' THR . 42.7 m -123.26 55.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.505 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.789 HG23 ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -80.1 -62.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.325 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.789 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.07 -62.27 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -43.15 -50.49 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' O ' ' A' ' 27' ' ' LYS . 58.4 t-80 -60.77 -49.03 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.243 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.81 -2.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.751 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' HIS . 17.0 tptt -96.11 -74.59 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.577 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 27' ' ' LYS . 32.9 m-85 -101.76 -75.8 0.59 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.876 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 27' ' ' LYS . 87.0 mt -38.03 -24.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.974 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 26' ' ' ILE . 71.4 mttt 9.39 -109.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.326 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 29' ' ' ILE . 24.3 t0 -151.44 66.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.079 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.7 mt -59.39 -138.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.54 ' H ' HG22 ' A' ' 29' ' ' ILE . 4.5 p30 -174.99 33.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.39 93.78 2.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.399 0.618 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 4' ' ' PHE . 32.3 p90 -148.83 134.84 19.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.017 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 33' ' ' VAL . 13.6 m -127.41 128.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 111.472 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 9.1 p90 -129.9 53.19 1.94 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.109 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 16.8 ttmt -119.04 45.11 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 38' ' ' VAL . 57.3 m-80 -159.73 24.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' GLY . 4.2 t-20 75.74 -12.45 0.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.316 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.694 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.6 t -119.64 168.82 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.016 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.694 HD12 ' C ' ' A' ' 38' ' ' VAL . 5.9 mp -129.54 124.18 33.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.916 0.389 . . . . 0.0 111.135 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 148.13 43.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -142.47 138.21 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.8 mm? -63.15 133.26 54.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.23 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.7 tp -153.5 109.54 3.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.355 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 98.3 mt-10 -90.52 -57.61 2.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.518 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 14.3 m-80 -37.08 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.004 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.6 tt0 -40.84 -26.98 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 50' ' ' ASN . 23.0 t80 -70.5 -71.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 0.0 110.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.89 -30.83 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.387 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -81.72 -31.82 31.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.144 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t30 -56.25 -44.9 80.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.2 -50.05 6.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.607 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -47.72 -53.64 14.54 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.256 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -72.05 -10.76 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.799 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -73.93 -30.48 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -158.93 80.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.981 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 58' ' ' ILE . 7.6 t -107.69 58.17 0.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 9.9 mp0 -72.99 31.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.676 ' O ' HD12 ' A' ' 61' ' ' LEU . 86.0 mt -56.65 -19.56 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -67.13 -0.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.482 0.658 . . . . 0.0 109.333 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.468 ' H ' ' C ' ' A' ' 58' ' ' ILE . 18.9 m170 -76.06 -25.05 55.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.248 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.849 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.61 -40.11 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -48.83 -30.61 5.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.1 33.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.38 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 62' ' ' ALA . 11.4 m -130.17 -45.93 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.493 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -60.27 -23.84 64.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 27.0 p90 177.97 111.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.926 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.69 164.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.698 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.419 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 110.6 -0.36 29.16 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.8 mm -65.91 127.65 27.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.394 . . . . 0.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -99.92 -30.76 11.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.0 t 173.65 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.208 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.606 ' N ' ' OG ' ' A' ' 71' ' ' SER . 20.0 t -147.32 145.66 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -163.61 157.78 19.82 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.723 0.773 . . . . 0.0 112.058 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.736 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.42 143.83 35.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.807 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 43' ' ' LEU . 31.1 m -148.12 -161.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.104 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.73 161.89 13.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.979 0.419 . . . . 0.0 111.018 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -36.88 -70.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.573 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -48.94 -52.99 21.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.628 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.19 -65.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 4.4 t80 -42.19 -47.97 4.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.5 t80 -56.42 -66.56 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.214 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' C ' ' O ' ' A' ' 81' ' ' PHE . 49.0 t80 -29.28 -40.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.4 m-80 -74.03 -49.64 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.076 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 81' ' ' PHE . 41.5 tp -74.78 -18.38 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -74.58 -19.18 60.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 -179.852 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 6' ' ' ALA . 84.5 mt-10 . . . . . 0 C--O 1.227 -0.098 0 CA-C-O 120.719 0.295 . . . . 0.0 110.58 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.8 tp60 -41.67 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -44.0 -48.07 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 51.0 t30 -63.51 -23.15 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -82.57 -63.72 1.32 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -55.44 -41.79 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.759 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.6 -44.27 82.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.981 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 10.8 p -60.23 -21.37 61.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.505 -179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -67.98 -40.7 83.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.71 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.7 mt -57.74 -46.24 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLU . 61.7 tttm -37.31 -54.89 1.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 4.4 mmtm -51.77 -43.54 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.109 0.48 . . . . 0.0 109.9 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.6 t60 -68.79 -61.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -85.87 29.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.67 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.581 ' OE2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -55.34 -23.35 23.38 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.96 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.581 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 39.1 mtmt -98.86 -42.97 6.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 110.367 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -83.04 46.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.796 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.806 HG23 ' H ' ' A' ' 20' ' ' GLY . 2.2 tt -60.62 -63.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.326 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.806 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.34 -61.55 0.12 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -45.15 -47.6 12.27 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.589 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.3 t-80 -66.36 -22.13 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 20' ' ' GLY . 12.0 t70 -83.41 -7.04 59.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -91.81 -68.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.579 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.6 m-85 -110.35 -66.28 1.08 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.761 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.3 mm -42.03 -17.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.714 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' TYR . 84.5 tttt -15.66 -97.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.661 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 32.3 p-10 -148.35 52.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 28' ' ' ASP . 1.6 mt -41.38 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -125.4 22.07 7.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.441 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -136.1 88.14 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.378 0.609 . . . . 0.0 110.742 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -148.79 127.57 12.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.071 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.8 m -119.64 127.16 75.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.28 0.562 . . . . 0.0 111.977 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -123.67 130.02 52.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.122 179.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 40.0 mtmt -120.96 -57.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.365 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.0 t30 160.7 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.44 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 38' ' ' VAL . 26.6 m-20 -87.81 -45.67 10.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.735 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 39' ' ' LEU . 48.3 t -154.66 166.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.16 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.655 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.7 mp -125.16 123.73 40.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.529 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -118.23 143.81 46.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.134 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 40' ' ' LEU . 4.2 mp -140.03 135.09 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.657 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.1 mm? -64.28 132.6 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.251 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.0 tp -162.18 93.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.321 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -86.44 -23.49 26.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.258 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.427 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 52.1 m-80 -48.21 115.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.69 -33.25 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 50' ' ' ASN . 95.0 m-85 -73.98 -72.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.758 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.63 -33.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -79.39 -36.03 39.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.562 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.5 t-20 -54.58 -44.7 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.309 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -46.48 9.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.435 -178.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' OG ' ' A' ' 56' ' ' SER . 25.9 mt -47.69 -54.19 12.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.307 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -73.45 -10.19 59.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.245 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.66 -30.79 56.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.305 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -165.54 60.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -83.63 -93.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mm-40 70.49 46.02 0.58 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 58' ' ' ILE . 17.5 mm -64.4 3.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.845 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' H ' ' C ' ' A' ' 57' ' ' GLU . 9.0 tt -86.25 -34.79 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -46.33 -12.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.701 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.861 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -131.22 -48.62 1.0 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.18 -20.13 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.547 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.13 2.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.349 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' TYR . 69.8 m -96.31 -69.53 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.16 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 7' ' ' PHE . 36.2 tp -38.54 -23.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.923 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.9 m-85 -118.57 -174.9 2.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.276 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.67 -40.59 72.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.75 78.25 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 71' ' ' SER . 3.9 mm -41.81 142.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -79.6 -38.5 33.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 69' ' ' ILE . 6.3 p -179.09 -178.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 t -149.18 147.91 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.814 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -164.51 145.93 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.587 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 5.2 m-85 -116.92 141.91 47.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.506 -1.224 . . . . 0.0 108.87 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LEU . 6.6 m -142.92 -166.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.434 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -99.02 157.58 16.24 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.236 0.541 . . . . 0.0 111.521 -179.031 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -38.0 -46.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.287 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -70.05 -47.26 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.007 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -52.11 -63.69 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.922 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.412 ' CG ' HD21 ' A' ' 42' ' ' LEU . 1.7 t80 -48.08 -37.84 16.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -63.81 -32.95 74.63 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.02 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 65.1 t80 -61.26 -30.77 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -91.72 18.36 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.377 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.1 tp -92.81 -18.13 23.26 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.67 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.47 -26.1 12.53 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.734 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.506 ' NZ ' ' CE2' ' A' ' 82' ' ' PHE . 40.8 mmtm . . . . . 0 C--N 1.328 -0.368 0 CA-C-O 121.036 0.446 . . . . 0.0 110.077 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.7 mt-10 . . . . . 0 N--CA 1.458 -0.059 0 CA-C-O 120.781 0.324 . . . . 0.0 110.329 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 8.7 tt0 -42.31 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CD2' ' CE2' ' A' ' 32' ' ' PHE . 5.0 t80 -44.58 -45.85 9.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.698 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.97 -28.15 67.42 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.114 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.76 -60.86 2.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.56 -44.69 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 24.2 ttpp -60.51 -50.09 74.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.486 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -57.58 -21.48 39.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.075 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -66.39 -37.87 86.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.461 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.95 -45.24 94.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.635 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' GLU . 65.3 mttm -39.08 -53.04 1.84 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.6 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.7 t-160 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.678 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -88.29 28.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.599 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.6 tt0 -48.83 -59.44 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -80.77 8.08 8.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.269 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -126.44 53.72 1.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.767 HG23 ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -84.23 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.893 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.767 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.32 -63.89 0.13 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 50.8 t80 -40.5 -49.66 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.549 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.0 t-80 -63.06 -61.82 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.396 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.26 -13.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.004 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -101.85 -60.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.605 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 61.8 m-85 -75.71 -71.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.549 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -64.94 -65.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' HIS . 6.8 ttmm 67.16 -71.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -172.72 101.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.2 mm -83.11 -150.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.621 ' H ' HG22 ' A' ' 29' ' ' ILE . 2.0 t-20 -170.07 20.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.251 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.482 ' CB ' HD23 ' A' ' 42' ' ' LEU . 20.2 mmm180 -143.0 99.45 3.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.033 0.444 . . . . 0.0 110.618 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' CD2' ' A' ' 4' ' ' PHE . 29.7 p90 -148.51 117.72 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.84 145.59 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.203 0.525 . . . . 0.0 112.075 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.72 61.18 1.68 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.729 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -127.13 41.15 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -158.35 35.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.37 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 57.53 17.39 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.397 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 39' ' ' LEU . 44.9 t -150.25 163.39 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.564 ' N ' HG12 ' A' ' 38' ' ' VAL . 4.9 mp -119.85 116.94 26.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 0.0 110.283 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 41' ' ' ILE . 3.2 tt -118.02 145.04 45.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.734 ' N ' HD23 ' A' ' 40' ' ' LEU . 44.2 mt -143.17 138.47 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 80' ' ' PHE . 3.1 mm? -64.27 139.25 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.021 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 tp -156.8 103.64 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -87.25 -34.04 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -45.61 113.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.92 -50.3 64.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.08 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 34.6 m-85 -57.78 -63.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 109.988 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ARG . . . -40.26 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 27.9 ttt-85 -36.34 -37.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.006 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 4.2 t-20 -54.66 -57.43 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.428 0.633 . . . . 0.0 110.546 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -48.75 22.12 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.098 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -46.29 -57.19 4.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -70.46 -10.59 59.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.919 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.77 -27.75 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.428 HD22 ' C ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -156.59 71.56 0.7 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.147 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.0 p -102.52 54.47 0.78 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.47 41.41 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.283 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 56' ' ' SER . 10.5 mm -66.35 -13.65 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.925 HD12 ' O ' ' A' ' 70' ' ' LYS . 3.3 tt -71.85 -6.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.484 0.659 . . . . 0.0 109.56 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -34.79 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.09 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.783 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.28 -43.0 3.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -179.277 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.624 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -43.55 -31.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -65.52 31.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.072 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.624 ' H ' ' C ' ' A' ' 62' ' ' ALA . 3.0 t -135.9 96.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.745 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 64' ' ' SER . 3.7 mt 146.5 -27.91 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.816 0.697 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.511 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 9.0 m-85 -118.44 -175.38 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.15 -25.88 67.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.165 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 157.99 83.25 0.04 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 70' ' ' LYS . 8.3 mm -48.17 157.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.413 . . . . 0.0 110.671 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.925 ' O ' HD12 ' A' ' 59' ' ' ILE . 8.4 tttp -100.78 -106.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.663 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 70' ' ' LYS . 71.2 m -103.53 177.11 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.422 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -145.89 143.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.768 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.576 ' ND2' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -170.8 157.89 5.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.497 0.665 . . . . 0.0 112.181 -179.692 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.672 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -127.73 148.35 50.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.174 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.547 HG22 HD21 ' A' ' 40' ' ' LEU . 13.9 m -145.44 -156.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.282 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -107.28 162.43 13.91 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 -179.471 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' ASN . 35.5 tp10 -35.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.679 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -49.91 -51.84 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.797 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -63.29 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CD1' HD22 ' A' ' 40' ' ' LEU . 5.6 t80 -41.63 -49.51 4.15 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.2 t80 -53.54 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.937 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 81' ' ' PHE . 64.3 t80 -32.02 -39.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.9 t-20 -78.85 -51.67 9.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.1 tp -72.56 -11.57 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -83.44 -23.44 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.412 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? . . . . . 0 C--N 1.333 -0.148 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.526 ' OE1' ' N ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER . . . . . 0 C--O 1.227 -0.083 0 CA-C-O 120.706 0.289 . . . . 0.0 110.458 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.2 tt0 -39.39 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 4.1 t80 -45.86 -43.27 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.665 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -63.57 -25.44 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.74 -63.65 1.33 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 1.4 t80 -55.02 -40.13 69.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.16 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 19.6 ttpp -68.87 -43.54 75.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.75 -17.35 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.841 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.46 -29.41 56.92 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.68 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.769 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt -67.2 -42.44 84.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLU . 90.1 mttt -38.48 -51.85 1.58 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.994 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HZ2' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -50.56 -43.7 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.397 0.617 . . . . 0.0 109.494 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.9 t-160 -69.36 -61.33 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.317 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.36 30.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.8 tt0 -41.84 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.811 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 19' ' ' ILE . 16.1 mtpp -74.24 -25.54 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -72.44 41.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.668 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.777 HG23 ' H ' ' A' ' 20' ' ' GLY . 2.8 tp -70.26 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.777 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.97 -39.48 0.01 OUTLIER Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' ILE . 83.9 t80 -75.63 -48.49 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.334 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.581 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.1 t-80 -65.92 -16.62 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -90.6 -5.18 56.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -89.8 -71.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.732 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 9.2 m-85 -111.85 -59.72 1.95 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.3 mm -41.51 -49.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.211 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 26' ' ' ILE . 63.0 tttt 18.64 -130.93 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.424 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 29' ' ' ILE . 10.9 t70 -125.5 68.5 1.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.162 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 30' ' ' ASN . 1.3 mt -58.15 -145.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.555 ' H ' HG22 ' A' ' 29' ' ' ILE . 37.3 p-10 -167.62 23.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.645 ' HB3' HD23 ' A' ' 42' ' ' LEU . 18.8 mmt-85 -135.52 87.73 2.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.332 0.586 . . . . 0.0 110.514 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 51.2 p90 -149.84 125.97 10.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.034 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.45 143.03 42.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.063 0.458 . . . . 0.0 111.62 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 8.7 p90 -134.66 56.78 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.872 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -122.13 53.0 1.24 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.563 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -174.98 53.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.207 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.9 p30 42.64 17.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ASN . 97.5 t -148.61 160.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.524 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.7 mp -121.8 119.82 32.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.58 143.33 46.85 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.4 mt -139.15 136.7 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.185 0.517 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.645 HD23 ' HB3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -58.71 132.54 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.651 -179.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' VAL . 57.1 tp -158.52 108.19 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.283 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -90.1 -49.13 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.525 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 17.1 m-80 -42.19 118.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -67.3 -35.81 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.654 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' ASN . 68.1 m-85 -63.36 -68.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 109.967 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.87 -40.31 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.375 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -71.05 -38.59 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.378 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' PHE . 18.5 t-20 -52.02 -49.6 63.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.941 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.74 -43.86 13.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.623 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.4 mt -51.56 -48.81 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.902 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -77.74 -12.55 59.98 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.0 -27.71 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -150.83 57.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.198 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.6 m -77.16 45.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.505 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.85 29.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.445 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' A' ' 56' ' ' SER . 26.8 mm -63.27 -19.65 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.46 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 5.1 tt -67.23 1.98 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.426 0.631 . . . . 0.0 109.808 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 58' ' ' ILE . 23.0 m170 -78.35 -49.04 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.929 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.911 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -100.7 -41.75 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.801 -179.059 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.97 -33.77 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -81.63 29.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.759 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -109.34 -34.67 6.48 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.3 -76.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CE1' HD11 ' A' ' 69' ' ' ILE . 42.4 p90 -119.48 114.03 21.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -54.63 158.1 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.4 -10.93 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 66' ' ' TYR . 21.3 mm -59.55 89.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.082 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -66.35 -34.93 79.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.949 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.4 t 179.06 -176.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.526 ' N ' ' OG ' ' A' ' 71' ' ' SER . 4.2 t -144.6 141.3 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.769 HD22 ' H ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -157.51 153.0 26.33 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.453 0.644 . . . . 0.0 111.826 -179.29 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.769 ' H ' HD22 ' A' ' 73' ' ' ASN . 0.1 OUTLIER -127.4 145.69 50.73 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.62 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' LEU . 5.8 m -147.22 -169.69 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -90.68 155.63 18.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.067 0.46 . . . . 0.0 111.171 -179.457 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.557 ' HA ' HD11 ' A' ' 42' ' ' LEU . 13.6 tp10 -41.15 -42.84 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.802 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -70.81 -50.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.724 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 76' ' ' ASN . 3.3 m-20 -56.31 -53.75 53.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.171 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -55.54 -44.4 76.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.78 -35.25 72.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.136 0.493 . . . . 0.0 110.588 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.54 -27.5 67.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.791 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -68.99 -42.86 75.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.586 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -85.83 -18.03 34.03 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.453 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.22 -27.3 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.743 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.3 mt-10 . . . . . 0 C--O 1.23 0.041 0 CA-C-O 120.739 0.304 . . . . 0.0 110.651 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.527 ' OE1' HD12 ' A' ' 65' ' ' LEU . 2.1 tp-100 -44.92 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -43.22 -51.14 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.73 -26.6 65.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.514 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.9 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -80.35 -60.47 2.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -44.96 96.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -62.07 -48.78 78.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -57.65 -27.2 62.63 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.047 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.21 -30.36 70.8 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.013 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.703 ' N ' HD23 ' A' ' 10' ' ' LEU . 7.1 mt -68.18 -44.24 76.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 11' ' ' LEU . 43.5 tttp -36.99 -55.05 0.94 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -53.21 -40.56 64.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.1 t60 -71.2 -62.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.512 ' CD1' ' OG1' ' A' ' 18' ' ' THR . 3.1 m-85 -78.2 22.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -48.08 -27.55 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 19' ' ' ILE . 86.3 mttt -91.13 -47.01 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.743 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.512 ' OG1' ' CD1' ' A' ' 15' ' ' TYR . 7.8 p -70.65 41.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.034 HG23 ' H ' ' A' ' 20' ' ' GLY . 5.0 tt -58.34 -85.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.2 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 1.034 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.23 -57.73 0.13 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' GLY . 76.7 t80 -39.58 -47.64 1.96 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.603 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.8 t-80 -62.31 -52.0 65.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.173 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.57 -2.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.665 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -96.86 -74.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.408 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' LYS . 7.0 m-85 -102.82 -66.8 0.91 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.052 -0.659 . . . . 0.0 112.088 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.7 mm -38.72 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.193 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 25' ' ' TYR . 70.3 tttt -81.75 -39.0 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.716 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 25' ' ' TYR . 37.7 t70 -68.8 -35.42 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.006 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' ASN . 72.9 mt -43.09 158.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 30.9 p30 -164.24 16.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -135.86 113.23 10.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 110.785 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -152.91 129.35 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.74 143.22 41.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.323 0.582 . . . . 0.0 111.829 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.68 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.4 t80 -131.27 54.01 1.95 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.808 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.487 ' C ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -135.14 90.01 2.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 1.2 p30 169.02 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.069 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 21.7 p-10 142.23 10.3 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.073 0.858 . . . . 0.0 110.629 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.676 HG12 ' N ' ' A' ' 39' ' ' LEU . 40.3 t -153.95 170.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' HG12 ' A' ' 38' ' ' VAL . 6.2 mp -118.39 115.36 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 145.33 45.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.342 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.09 134.75 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -66.73 133.66 50.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.7 tp -150.83 108.56 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.18 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -90.38 -40.05 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.729 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 25.0 m120 -42.26 114.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -68.23 -39.51 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.067 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -62.33 -66.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.014 0.435 . . . . 0.0 109.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' SER . . . -43.11 -69.47 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.107 0.48 . . . . 0.0 110.031 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 14.4 ttp85 -36.05 -40.46 0.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.248 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 11.6 t-20 -57.71 -47.82 81.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.517 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 25.7 p -81.16 -55.07 4.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.592 -1.186 . . . . 0.0 112.643 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.534 ' N ' ' OG ' ' A' ' 51' ' ' SER . 33.8 mt -44.05 -54.73 5.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.817 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.616 HD22 ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -70.73 -11.14 60.76 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.917 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.616 ' N ' HD22 ' A' ' 53' ' ' ASN . 6.6 t70 -72.4 -29.41 63.71 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.417 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.7 t30 -149.83 62.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.812 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -96.43 51.27 1.18 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.201 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -79.2 47.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 58' ' ' ILE . 22.1 mm -62.8 0.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.381 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 tt -89.02 -29.1 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -55.75 -14.37 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.789 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.753 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -126.39 -48.54 1.56 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 8.93 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' H ' ' C ' ' A' ' 61' ' ' LEU . 16.7 pt-20 -90.16 26.15 1.97 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.635 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' TYR . 72.1 p -121.79 -69.23 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.711 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.9 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -39.58 -27.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.958 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.3 m-85 -119.27 170.62 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.4 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -59.13 -31.14 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.88 85.4 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.457 HD12 HD13 ' A' ' 39' ' ' LEU . 5.4 mm -47.2 146.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.464 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.503 ' HZ2' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -83.9 -39.43 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.151 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 20.2 t -174.87 175.94 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.419 ' N ' ' OG ' ' A' ' 71' ' ' SER . 8.7 t -148.91 147.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.996 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 9.2 t-20 -173.28 159.52 3.82 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.612 0.72 . . . . 0.0 112.011 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.584 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -131.43 148.5 52.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.062 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.66 -155.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' GLU . 1.3 m-20 -106.01 161.37 14.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' ASN . 9.7 tm-20 -35.38 -68.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.585 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.95 -50.69 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.171 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.403 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 3.9 m-20 -51.56 -62.03 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.689 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.2 t80 -40.9 -46.73 2.84 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 0.0 110.33 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' ASN . 59.6 t80 -55.46 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' PHE . 24.0 t80 -35.69 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 13.0 t30 -75.75 -51.99 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.407 ' CD2' ' CZ ' ' A' ' 80' ' ' PHE . 1.8 pp -80.4 -15.94 55.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 110.494 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . . . -77.96 -32.92 51.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 tppt? . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.2 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.841 0.353 . . . . 0.0 110.606 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.1 tt0 -42.77 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.256 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.597 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 1.6 p90 -45.04 -44.96 10.54 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.089 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.597 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -62.4 -26.92 68.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.512 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -79.13 -61.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.365 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -42.31 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 109.913 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -67.74 -45.64 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 11.4 p -57.91 -21.64 44.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.095 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -70.17 -45.93 65.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.361 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.3 mt -51.81 -44.17 63.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLU . 3.7 ttmp? -38.7 -62.32 0.62 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.051 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -41.04 3.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.5 . . . . 0.0 110.119 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.601 ' CG ' HD21 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -71.39 -60.85 2.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.261 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -90.88 31.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.384 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 12' ' ' LYS . 5.1 pt-20 -47.72 -47.89 29.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.756 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -93.28 2.56 56.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -124.81 46.62 2.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.732 HG23 ' N ' ' A' ' 20' ' ' GLY . 15.2 tt -88.24 -59.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.724 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.732 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -30.51 -59.46 0.23 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' GLY . 20.1 t80 -39.54 -46.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 19' ' ' ILE . 13.6 t-80 -63.0 -57.61 10.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.532 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -15.32 12.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -57.76 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -77.7 -73.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.469 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -62.23 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.281 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 29' ' ' ILE . 23.9 mtmt 64.93 -176.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -55.89 80.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.5 tp -53.09 163.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.035 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.467 ' H ' ' HD3' ' A' ' 31' ' ' ARG . 20.5 m120 -145.74 8.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.558 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.47 88.67 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.37 0.605 . . . . 0.0 110.456 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -159.46 145.31 16.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.232 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -149.04 152.13 12.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.124 0.488 . . . . 0.0 111.473 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 12.3 p90 -137.11 63.2 1.57 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.011 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -119.85 21.87 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' A' ' 38' ' ' VAL . 77.8 m-20 -128.09 29.14 5.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.848 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 74.88 -18.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.0 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.804 HG12 ' H ' ' A' ' 39' ' ' LEU . 15.9 t -118.5 178.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.379 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.804 ' H ' HG12 ' A' ' 38' ' ' VAL . 5.8 mp -123.18 121.39 35.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.405 HD11 HG21 ' A' ' 75' ' ' VAL . 10.2 tt -118.59 144.02 46.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.657 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.01 131.1 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.112 0.482 . . . . 0.0 110.693 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.546 ' C ' HD23 ' A' ' 42' ' ' LEU . 5.6 tt -78.56 90.46 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' VAL . 26.8 tp -99.72 120.5 39.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.109 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' ASN . 34.3 mt-10 -91.24 -71.41 0.63 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.824 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 88.1 m-20 -29.42 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.945 -178.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.26 -40.81 25.87 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.9 m-85 -60.23 -66.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 0.0 109.814 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.59 -32.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.518 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.62 ' NH1' ' ND2' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -82.66 -32.95 27.92 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.796 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -52.63 -47.21 67.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.498 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -44.63 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.674 -178.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' LEU . 26.0 mt -47.71 -55.49 9.39 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.264 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -72.17 -9.72 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.839 -179.461 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.84 -31.9 59.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.353 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -165.88 68.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 1.6 m -91.23 -91.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 71.93 51.29 0.22 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.652 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 58' ' ' ILE . 51.7 mt -71.91 -0.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.167 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.433 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 4.2 tt -83.86 -3.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -75.85 -10.69 59.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.068 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.916 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -138.69 -35.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.6 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -61.03 -25.23 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.342 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.59 34.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.108 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 62' ' ' ALA . 33.4 m -129.71 -31.64 1.97 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.991 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tp -86.81 -25.34 24.63 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.565 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.429 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 18.9 m-85 -117.82 -172.83 2.32 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.6 95.7 10.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.783 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 40.62 73.35 0.2 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLY . 3.4 mm -38.59 141.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' OG ' ' A' ' 71' ' ' SER . 40.2 mttm -84.22 -39.44 19.31 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.596 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.8 m -179.25 -178.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.988 0.423 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 t -149.15 146.9 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.64 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -165.55 165.44 18.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.099 0.476 . . . . 0.0 111.429 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -129.56 165.18 22.22 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.431 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -153.13 -164.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.522 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.62 ' ND2' ' NH1' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -122.68 178.39 5.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.107 0.48 . . . . 0.0 111.433 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.468 ' HA ' HD11 ' A' ' 42' ' ' LEU . 39.5 mt-10 -34.11 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.255 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.92 -51.03 69.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.6 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 7.4 m-20 -52.57 -61.2 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.39 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.82 -43.65 8.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.214 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.9 t80 -60.4 -67.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' PHE . 78.9 t80 -28.55 -38.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.03 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.0 t30 -76.8 -50.22 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.308 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . 43.2 tp -74.3 -25.3 59.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB2' ' CD1' ' A' ' 81' ' ' PHE . . . -71.17 -9.57 58.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.526 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.709 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.442 ' O ' ' N ' ' A' ' 6' ' ' ALA . 8.5 pt-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.788 0.328 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' ALA . 11.4 tt0 -41.44 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -43.48 -49.23 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.899 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 11.2 t-20 -61.16 -27.34 68.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.519 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -82.65 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.862 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -56.0 -44.11 78.32 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.614 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 24.2 ttmt -65.44 -44.15 88.23 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 7.1 p -57.64 -24.74 58.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.403 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -64.23 -40.92 97.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 14' ' ' HIS . 22.1 mt -58.8 -48.28 81.81 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' LEU . 56.0 tttm -36.48 -57.33 0.76 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.976 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -51.2 -43.31 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.122 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -68.35 -65.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.392 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -77.95 24.06 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -46.67 -63.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.446 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -79.67 -0.58 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.2 41.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.93 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.4 tt -77.55 -67.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.93 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.1 -37.05 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 19' ' ' ILE . 72.9 t80 -77.24 -48.95 16.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.038 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 55.4 t-80 -62.77 -25.83 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.651 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.42 -5.43 59.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.343 0.592 . . . . 0.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -92.41 -53.02 4.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.566 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 29.1 m-85 -120.69 -70.62 0.78 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.618 -0.833 . . . . 0.0 112.174 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.535 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.9 mt -41.18 -41.94 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.641 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 26' ' ' ILE . 23.3 ttpp 22.85 -107.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.44 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 29' ' ' ILE . 45.2 t0 -157.01 71.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.327 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.609 HG22 ' H ' ' A' ' 30' ' ' ASN . 1.4 mt -57.72 -149.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.503 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.609 ' H ' HG22 ' A' ' 29' ' ' ILE . 47.6 m-20 -154.67 23.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.551 ' CB ' HD23 ' A' ' 42' ' ' LEU . 2.8 mmp_? -136.12 90.87 2.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.343 0.592 . . . . 0.0 110.72 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 48.8 p90 -147.57 127.51 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.72 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.81 139.76 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.181 0.515 . . . . 0.0 112.032 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -134.16 141.59 47.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.847 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 28.9 mtmm -120.03 -34.79 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 12.1 t30 140.31 -18.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.995 0.809 . . . . 0.0 109.603 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -99.32 -42.02 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.205 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.495 ' C ' HD12 ' A' ' 39' ' ' LEU . 35.7 t -148.53 157.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.363 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 38' ' ' VAL . 6.3 mp -127.68 127.53 43.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.107 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.06 143.71 46.97 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.901 0.382 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.8 mt -139.51 136.6 40.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.551 HD23 ' CB ' ' A' ' 31' ' ' ARG . 1.7 mm? -59.09 134.59 57.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.282 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' VAL . 14.2 tp -159.06 100.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.698 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 46' ' ' GLU . 25.6 mt-10 -87.29 -55.98 3.57 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.394 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.608 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 17.8 m120 -35.02 89.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.4 tt0 -40.26 -30.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 50' ' ' ASN . 74.6 t80 -68.39 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.81 -28.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.452 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.563 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 0.1 OUTLIER -85.25 -33.59 22.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.949 0.404 . . . . 0.0 110.1 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.9 t-20 -55.03 -41.64 71.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -49.58 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.691 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -46.68 -58.75 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -11.02 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.71 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.24 -29.13 53.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.954 0.407 . . . . 0.0 110.27 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -165.1 52.67 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -80.28 -89.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.567 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 70.4 50.26 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 58' ' ' ILE . 34.6 mm -67.05 -5.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 59' ' ' ILE . 7.2 tt -79.69 -7.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.259 0.552 . . . . 0.0 109.597 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -72.77 -15.65 61.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.036 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.861 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -129.84 -45.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 0.0 109.781 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -54.58 -24.95 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.292 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HA ' ' H ' ' A' ' 69' ' ' ILE . 7.6 pt-20 -61.66 1.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' A' ' 65' ' ' LEU . 25.1 p -96.38 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.985 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.777 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -38.53 -24.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.799 -179.515 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.2 m-85 -118.84 175.51 5.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.73 -27.55 69.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.36 84.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.439 ' H ' ' HA ' ' A' ' 63' ' ' GLU . 5.1 mm -44.95 146.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.413 ' O ' ' OG ' ' A' ' 71' ' ' SER . 5.2 mmtp -90.08 -43.48 10.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 1.3 m -169.59 171.23 7.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 t -147.48 145.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.015 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.553 HD22 ' N ' ' A' ' 74' ' ' PHE . 0.5 OUTLIER -164.97 154.68 13.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.482 0.658 . . . . 0.0 111.665 -179.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.74 146.1 52.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.385 179.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' LEU . 28.4 m -149.13 -160.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.948 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.563 ' OD1' ' NH1' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -99.15 164.41 12.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.2 0.524 . . . . 0.0 111.039 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 42' ' ' LEU . 60.6 tt0 -37.37 -70.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.601 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -49.15 -52.47 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.959 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 5.2 m-20 -50.19 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.23 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -42.53 -43.83 3.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t80 -58.98 -68.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.324 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.6 t80 -29.97 -38.71 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -73.88 -49.23 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.095 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.8 tp -73.92 -19.18 60.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.051 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.89 -33.47 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.719 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 39.3 tptt . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.753 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 54.2 mt-10 . . . . . 0 C--O 1.228 -0.046 0 CA-C-O 120.854 0.359 . . . . 0.0 110.707 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.549 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 45.5 tt0 -40.8 -80.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.206 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -49.19 -41.25 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -25.2 64.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -73.36 -59.56 2.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -59.14 -52.79 64.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.809 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -53.99 -27.86 34.23 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.953 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -61.14 -41.64 97.11 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.461 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.0 mt -57.3 -44.83 84.42 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -38.59 -56.47 1.29 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -41.8 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.785 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 38.1 t60 -67.48 -68.16 0.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.371 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -73.69 20.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -56.82 -23.0 40.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.313 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -87.0 -66.33 0.92 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 39.64 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.329 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.877 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.5 tt -41.36 -65.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.877 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.36 -56.26 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -42.55 -47.84 5.24 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.601 ' N ' ' O ' ' A' ' 19' ' ' ILE . 25.0 t-80 -62.79 -47.92 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 7.3 t0 -66.11 2.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.412 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -98.28 -56.38 2.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.891 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LYS . 42.7 m-85 -127.15 -61.17 1.17 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.072 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' TYR . 9.9 mm -38.28 -23.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 25' ' ' TYR . 44.4 tttm -81.96 -57.78 3.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.44 89.41 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.678 HD11 ' O ' ' A' ' 42' ' ' LEU . 3.4 tp -158.48 161.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.104 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 30' ' ' ASN . 12.7 t-20 -165.76 19.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.364 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -138.9 108.87 6.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.322 0.582 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CD2' ' N ' ' A' ' 32' ' ' PHE . 9.5 p90 -156.69 138.35 14.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.03 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -145.91 153.36 13.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.304 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -137.6 145.91 43.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.41 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -176.28 -21.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.947 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' VAL . 62.8 m-80 -119.7 44.72 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.14 4.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.39 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' ASN . 79.3 t -119.65 156.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.065 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.452 ' N ' HG12 ' A' ' 38' ' ' VAL . 4.9 mp -124.86 123.27 39.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.22 141.28 48.36 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.7 mt -140.49 135.73 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.678 ' O ' HD11 ' A' ' 29' ' ' ILE . 2.7 mm? -65.25 136.91 57.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.148 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -159.41 98.58 1.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.78 -28.77 27.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 31.6 m120 -43.49 112.62 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -64.76 -48.18 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.054 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 29.7 m-85 -60.88 -64.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -41.33 -73.18 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.23 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 29.1 ttt-85 -36.61 -38.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.78 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 1.6 t30 -54.93 -47.73 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.297 0.57 . . . . 0.0 110.311 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -86.24 -48.29 8.67 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.132 -179.07 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.492 HD12 ' HB1' ' A' ' 48' ' ' ALA . 4.7 mt -47.0 -53.85 11.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.137 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -73.94 -9.83 59.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.826 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.54 -28.99 61.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.248 0.547 . . . . 0.0 109.558 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -150.85 61.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.984 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 58' ' ' ILE . 77.3 p -83.27 47.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.951 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.64 32.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.076 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' ' 56' ' ' SER . 22.0 mm -60.6 -5.47 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.747 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 59' ' ' ILE . 7.8 tt -79.7 -12.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.5 -20.86 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.059 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.931 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.89 -45.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.021 0.438 . . . . 0.0 110.441 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.06 -15.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.845 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.53 33.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.829 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' TYR . 85.3 p -130.66 -70.26 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.911 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.4 tm? -37.58 -24.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.438 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.647 ' CZ ' HD12 ' A' ' 65' ' ' LEU . 13.8 m-85 -118.85 -179.52 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.028 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.2 pm0 -69.36 -38.73 78.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.33 89.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 71' ' ' SER . 5.1 mm -59.01 137.98 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.795 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -37.37 52.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.846 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 69' ' ' ILE . 4.4 p 178.01 -176.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.684 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.2 144.15 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.535 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 35.2 t-20 -163.82 152.36 13.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.562 0.696 . . . . 0.0 112.346 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.656 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -121.28 153.11 38.1 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.51 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.424 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 10.5 m -146.87 -159.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.242 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.98 153.65 22.26 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.231 0.539 . . . . 0.0 111.129 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 78' ' ' GLN . 2.7 pt-20 -33.41 -53.71 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.443 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -65.58 -44.67 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.267 -178.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -52.66 -63.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.39 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 84' ' ' LEU . 6.7 t80 -46.33 -38.63 9.02 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -28.93 70.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.544 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ASP . 81.0 t80 -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 1.1 t30 -94.37 23.64 5.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.66 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -92.57 -72.57 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.634 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -48.53 -24.08 1.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.958 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' ALA . 25.9 tptp . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.368 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 6' ' ' ALA . 38.9 mm-40 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.827 0.346 . . . . 0.0 110.626 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' A' ' 6' ' ' ALA . 37.0 tt0 -43.14 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.994 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -44.48 27.95 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -55.01 -28.63 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.725 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -76.47 -57.2 4.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.465 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 7.8 t80 -63.33 -55.78 21.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.4 -54.56 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.705 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -55.33 -28.16 51.89 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.502 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.09 -39.84 95.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 14' ' ' HIS . 8.1 mt -60.04 -53.44 57.72 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.6 tttp -34.51 -57.61 0.51 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.107 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -54.74 -43.13 72.42 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.587 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.5 t60 -59.75 -58.58 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.006 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.32 30.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.09 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.8 -36.81 72.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.484 ' NZ ' ' CB ' ' A' ' 17' ' ' LYS . 8.1 mtpm? -81.43 -43.61 18.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.182 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -78.24 32.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.212 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.039 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.2 tt -44.09 -80.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 1.039 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.38 -61.63 0.08 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -45.07 -46.83 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.033 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 19' ' ' ILE . 15.6 t-80 -68.56 -25.55 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' GLY . 9.4 t70 -90.56 -13.8 33.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.228 0.537 . . . . 0.0 109.838 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -89.62 -49.23 6.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.259 -179.059 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 27' ' ' LYS . 68.7 m-85 -118.05 -75.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.312 -0.955 . . . . 0.0 112.348 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.6 mt -39.9 -19.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.345 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 25' ' ' TYR . 2.8 tmtm? -63.6 -31.45 72.62 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.289 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.56 57.42 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 5.7 mm -128.72 144.47 37.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -163.79 21.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.578 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -141.33 121.39 13.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.075 0.464 . . . . 0.0 110.713 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 29.2 p90 -163.74 140.56 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -148.3 161.69 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.713 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.25 73.72 1.45 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.88 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 63.2 mttm -119.26 81.27 1.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 8.1 m-20 161.53 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.774 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.423 ' C ' HG23 ' A' ' 38' ' ' VAL . 19.7 p-10 -166.37 22.62 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.352 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.687 HG12 ' N ' ' A' ' 39' ' ' LEU . 41.6 t -154.61 171.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.08 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.687 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.3 mp -119.54 122.76 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.96 139.77 50.26 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 0.0 109.949 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' A' ' 74' ' ' PHE . 54.1 mt -133.31 131.79 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.606 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -63.22 129.75 41.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.157 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 tp -152.59 99.9 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.043 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -80.4 -43.32 21.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.757 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -45.77 111.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.8 tp10 -61.44 -47.05 87.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -58.49 -65.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.875 0.369 . . . . 0.0 110.567 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.09 -32.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.531 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.9 ttp180 -78.08 -41.04 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.08 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -53.85 -35.81 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.326 0.584 . . . . 0.0 110.624 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.32 -47.19 7.91 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.475 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.45 -51.91 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -74.12 -18.98 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.098 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.496 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 23.8 t70 -69.51 -21.66 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.487 HD21 ' CD ' ' A' ' 57' ' ' GLU . 11.5 t-20 -158.5 72.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.026 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.567 ' C ' ' H ' ' A' ' 58' ' ' ILE . 23.7 m -92.14 50.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.487 ' CD ' HD21 ' A' ' 55' ' ' ASN . 26.5 mt-10 -70.06 34.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.911 0.386 . . . . 0.0 110.315 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 56' ' ' SER . 31.6 mm -70.46 -0.55 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.2 tt -86.43 -3.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.389 0.614 . . . . 0.0 109.549 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -78.76 -15.32 58.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.967 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.868 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -127.66 -42.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.019 0.437 . . . . 0.0 110.017 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.607 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.32 -24.31 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.652 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.84 32.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.432 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.607 ' H ' ' C ' ' A' ' 62' ' ' ALA . 5.9 m -129.49 -64.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.725 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -50.27 -38.81 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.014 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.57 ' C ' ' H ' ' A' ' 68' ' ' GLY . 40.3 m-85 -120.89 101.79 7.93 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.25 32.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -157.16 41.92 0.53 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -78.32 110.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.434 ' O ' ' OG ' ' A' ' 71' ' ' SER . 3.9 mmmm -82.2 -35.57 28.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.2 m 178.61 -176.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.197 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 58' ' ' ILE . 18.5 t -138.77 134.38 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.864 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.426 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 63.0 t30 -136.32 157.33 47.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 111.978 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 3.2 m-85 -137.63 131.49 31.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.057 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.07 -174.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.582 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.429 ' ND2' ' CG ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -89.99 166.52 13.41 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.206 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 77' ' ' GLU . 17.9 mp0 -38.93 -72.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.944 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' PHE . 15.0 tt0 -47.82 -52.84 17.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' PHE . 29.1 m-20 -47.89 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD2' HD21 ' A' ' 42' ' ' LEU . 3.8 t80 -47.51 -38.32 13.74 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.58 -11.65 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 78' ' ' GLN . 10.7 t80 -78.02 -41.33 36.12 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.84 -25.42 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.279 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.7 mm? -85.85 -13.63 47.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.36 43.46 3.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.684 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 pttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.067 178.877 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 6' ' ' ALA . 2.2 pm0 . . . . . 0 CA--C 1.526 0.028 0 CA-C-O 120.821 0.343 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 22.7 mp0 -42.5 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 2.6 p90 -45.07 -44.96 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.005 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 37.9 t-20 -58.87 -31.45 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.748 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -76.65 -59.56 2.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.75 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CE2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.62 -46.93 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.136 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 34.1 ttpt -56.48 -53.74 53.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.018 0.437 . . . . 0.0 110.873 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 66.8 m -57.52 -23.58 51.05 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -36.28 81.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.433 178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 14' ' ' HIS . 10.2 mt -63.95 -45.34 89.58 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.901 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' LEU . 35.0 mtmt -37.41 -55.52 1.05 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.904 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -42.68 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.2 t-80 -64.43 -65.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.972 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.01 25.55 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.021 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.9 tp10 -45.92 -44.8 14.99 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.292 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -78.52 -40.77 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.231 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 44.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.265 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.031 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.7 tt -60.29 -74.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.717 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 1.031 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.07 -58.73 0.09 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -40.9 -46.88 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.979 0.418 . . . . 0.0 109.975 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.596 ' N ' ' O ' ' A' ' 19' ' ' ILE . 49.5 t-80 -63.11 -56.92 12.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.77 -4.01 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.92 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -93.94 -51.67 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.926 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 61.6 m-85 -129.85 -62.92 0.94 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.043 -0.663 . . . . 0.0 112.247 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' TYR . 14.7 mm -37.86 -22.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.728 0.299 . . . . 0.0 111.074 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 29' ' ' ILE . 39.0 tttt -79.84 -147.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 29' ' ' ILE . 19.1 t70 30.63 -84.96 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.746 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 27' ' ' LYS . 97.4 mt -37.08 162.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.593 ' N ' HG22 ' A' ' 29' ' ' ILE . 20.5 p30 -168.93 66.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -134.11 116.63 15.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -154.01 149.41 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.041 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.19 144.07 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' C ' ' A' ' 34' ' ' PHE . 6.8 p90 -134.48 145.19 48.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.609 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 20.8 tptt -117.61 -81.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 17.7 m120 -164.78 32.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.362 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 20.8 p-10 -171.94 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.983 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 39' ' ' LEU . 46.7 t -147.61 162.58 7.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.842 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.625 HD12 ' C ' ' A' ' 38' ' ' VAL . 7.3 mp -128.99 130.36 46.57 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.048 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.51 HD21 HG22 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -117.89 142.44 47.33 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.465 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -136.42 133.75 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 1.9 mm? -62.4 136.27 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 111.064 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' VAL . 15.3 tp -163.91 97.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.277 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' A' ' 45' ' ' ASN . 2.8 pp20? -84.45 -37.07 21.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.622 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 10.5 m120 -44.99 113.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.81 -43.42 94.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.524 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' A' ' 50' ' ' ASN . 4.7 m-85 -64.91 -68.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.322 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.44 ' O ' HD12 ' A' ' 52' ' ' LEU . . . -38.83 -32.9 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -80.54 -35.76 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.79 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.4 t-20 -53.58 -54.93 30.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.332 0.587 . . . . 0.0 110.772 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -47.15 46.23 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.344 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 48' ' ' ALA . 28.9 mt -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.365 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 2.1 t-20 -75.95 -17.71 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.276 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 53.1 m-20 -69.82 -24.67 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.467 HD21 ' CD ' ' A' ' 57' ' ' GLU . 4.9 t30 -155.99 69.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.069 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 58' ' ' ILE . 15.6 p -85.59 47.33 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.04 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' A' ' 55' ' ' ASN . 21.8 pt-20 -74.1 31.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.506 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.585 ' O ' HD12 ' A' ' 61' ' ' LEU . 68.0 mt -64.98 -17.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 tt -64.94 -12.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.156 0.503 . . . . 0.0 109.976 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -65.81 -25.37 67.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.137 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.19 -41.86 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.378 . . . . 0.0 110.489 -179.162 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 64' ' ' SER . . . -46.95 -32.98 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.711 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -52.3 -13.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.608 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.655 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 0.5 OUTLIER -91.29 94.03 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HB2' ' O ' ' A' ' 64' ' ' SER . 0.4 OUTLIER 148.48 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.881 0.738 . . . . 0.0 109.702 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 66' ' ' TYR . 10.2 m-85 -117.9 -175.45 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.197 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -85.46 96.77 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 37.93 73.17 0.15 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' GLY . 4.3 mm -37.68 141.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.787 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 47.3 mmtt -82.59 -38.47 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.062 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.567 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 6.4 t 177.67 -175.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.533 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.567 ' N ' ' OG ' ' A' ' 71' ' ' SER . 5.1 t -146.06 141.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.783 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 21.0 t-20 -147.71 161.27 41.53 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.234 0.54 . . . . 0.0 111.594 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.612 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -143.66 145.67 32.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.805 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.51 HG22 HD21 ' A' ' 40' ' ' LEU . 18.9 m -144.76 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.595 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.0 t30 -119.22 173.81 6.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.614 0.721 . . . . 0.0 111.023 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 72.0 mt-10 -39.23 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.859 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.06 -53.44 33.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.212 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 40.7 m-20 -49.34 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.041 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.04 -37.54 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.88 -24.26 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.039 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.87 -36.0 72.61 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.939 0.4 . . . . 0.0 109.946 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.74 -43.37 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.566 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.24 -18.04 61.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.026 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.33 -18.88 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.256 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.565 -179.26 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.5 mt-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.685 0.279 . . . . 0.0 110.652 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.465 ' CD ' ' N ' ' A' ' 4' ' ' PHE . 13.4 tm0? -50.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.465 ' N ' ' CD ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -45.11 -58.26 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.343 0.592 . . . . 0.0 109.464 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.87 -23.7 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.204 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -81.99 -60.34 2.26 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.824 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -56.57 -49.25 75.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 109.914 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 27.4 ttpt -59.71 -52.86 63.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.674 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -53.84 -24.34 15.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.028 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -65.27 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' HIS . 17.4 mt -65.67 -47.92 73.83 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 11' ' ' LEU . 22.1 mttm -37.61 -54.95 1.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.257 -0.577 . . . . 0.0 109.482 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -55.93 -41.41 74.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.119 0.485 . . . . 0.0 109.874 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 11' ' ' LEU . 16.0 t-80 -69.08 -66.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.187 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.5 m-85 -74.94 19.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 14' ' ' HIS . 5.0 tm-20 -49.19 -46.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -89.77 14.85 10.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -139.42 54.87 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.829 HG23 ' H ' ' A' ' 20' ' ' GLY . 13.9 tt -73.36 -63.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.829 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.09 -62.5 0.07 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' A' ' 20' ' ' GLY . 56.5 t80 -35.87 -49.74 0.63 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.591 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.8 t-80 -60.48 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.062 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.07 -6.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.921 0.391 . . . . 0.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -88.86 -77.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.457 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' LYS . 5.9 m-85 -102.41 -75.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.779 -178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.583 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 1.7 mp -36.73 -29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.535 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' A' ' 26' ' ' ILE . 1.8 ttmp? 19.16 -125.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 28' ' ' ASP . 48.3 p30 -122.69 80.86 1.79 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.27 -161.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.692 ' ND2' HH21 ' A' ' 31' ' ' ARG . 0.6 OUTLIER -169.84 40.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.083 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.692 HH21 ' ND2' ' A' ' 30' ' ' ASN . 5.5 tpp85 -133.16 100.55 4.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.318 0.58 . . . . 0.0 110.678 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -146.39 151.99 38.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.478 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.9 m -134.17 119.04 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.325 0.583 . . . . 0.0 111.849 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.63 126.2 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.556 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -120.03 -58.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.194 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.5 t-20 164.63 -23.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.482 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -94.7 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 39' ' ' LEU . 36.0 t -151.26 164.68 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 111.527 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.597 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.2 mp -127.12 125.98 42.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.572 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.771 HD23 ' N ' ' A' ' 41' ' ' ILE . 5.1 tt -119.73 148.06 43.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.771 ' N ' HD23 ' A' ' 40' ' ' LEU . 76.7 mt -140.55 136.87 36.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 42' ' ' LEU . 3.7 mm? -60.4 139.98 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' VAL . 27.5 tp -160.45 115.93 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.56 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -87.46 -70.45 0.62 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.5 m-80 -32.59 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.612 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . 5.0 pt-20 -42.77 -31.86 0.53 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.072 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 50' ' ' ASN . 81.7 m-85 -66.82 -65.73 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.925 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.9 -31.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.322 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.24 -32.12 43.74 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -58.52 -55.3 36.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 109.984 -179.816 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -53.2 41.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.705 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 52' ' ' LEU . 20.8 mt -48.64 -51.44 28.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.49 -12.81 61.24 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.631 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -72.0 -30.09 64.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -151.32 56.37 0.88 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.695 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 58' ' ' ILE . 12.1 p -73.21 46.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.748 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.587 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.9 OUTLIER -70.44 18.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.542 ' H ' ' C ' ' A' ' 56' ' ' SER . 29.9 mm -49.55 -4.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.247 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.578 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.5 tt -88.73 -26.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.672 ' CE1' HD11 ' A' ' 61' ' ' LEU . 23.0 p-80 -59.3 -10.62 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -121.77 -48.2 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 6.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.142 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 61' ' ' LEU . 10.0 pt-20 -85.19 -4.77 59.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 m -91.3 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.636 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -50.46 -24.49 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -117.53 149.14 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.415 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -45.42 -62.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.26 82.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 71' ' ' SER . 4.5 mm -51.52 153.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.419 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' A' ' 71' ' ' SER . 11.6 tptm -87.84 -36.15 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.503 ' H ' HG22 ' A' ' 69' ' ' ILE . 3.5 m 176.58 -174.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.23 144.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.526 ' ND2' ' H ' ' A' ' 74' ' ' PHE . 5.9 t-20 -142.53 160.18 40.78 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.41 0.624 . . . . 0.0 111.748 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.526 ' H ' ' ND2' ' A' ' 73' ' ' ASN . 47.0 m-85 -138.83 134.59 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.298 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.627 HG22 HD21 ' A' ' 40' ' ' LEU . 11.4 m -148.09 -164.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.317 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -102.87 169.26 8.7 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.215 0.531 . . . . 0.0 111.239 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -38.25 -73.04 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.945 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.408 ' C ' ' NE2' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -47.15 -52.92 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.801 -178.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.529 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -49.9 -62.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.282 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 2.1 t80 -42.01 -42.56 2.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -57.42 -65.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.939 179.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.1 t80 -35.75 -33.41 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' PHE . 17.7 t-20 -73.32 -50.63 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -81.46 -15.48 54.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.593 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -78.52 -24.05 45.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 tptt . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.921 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 6' ' ' ALA . 16.5 mt-10 . . . . . 0 C--O 1.226 -0.163 0 CA-C-O 120.705 0.288 . . . . 0.0 110.49 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.4 tm0? -42.11 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.472 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.522 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 12.2 p90 -47.6 -41.02 20.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -58.89 -30.83 68.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.427 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -71.25 -55.09 8.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.032 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.62 -40.35 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 22.4 ttpp -60.61 -51.1 70.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.786 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -57.51 -25.24 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.342 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -64.32 -39.47 93.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.94 -44.54 96.55 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.794 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 11' ' ' LEU . 2.1 tttp -36.32 -57.8 0.72 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -50.99 -39.27 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.923 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.738 ' ND1' HD21 ' A' ' 61' ' ' LEU . 3.7 t60 -70.58 -61.79 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.268 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -84.78 26.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' LYS . 11.6 tm-20 -56.07 -32.48 64.16 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.325 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -95.7 5.59 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -131.34 66.8 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.834 HG23 ' H ' ' A' ' 20' ' ' GLY . 5.3 tp -77.44 -64.81 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.834 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.2 -62.77 0.11 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLY . 52.1 t80 -38.47 -50.13 1.52 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.113 0.482 . . . . 0.0 109.846 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ILE . 32.8 t-80 -62.94 -59.33 4.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.981 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -57.13 -5.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.086 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -94.45 -53.58 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.529 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 27' ' ' LYS . 50.8 m-85 -129.63 -66.48 0.8 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.13 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 mm -41.12 -16.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.344 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.3 tttm -84.92 -38.03 19.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' TYR . 24.5 t70 -89.19 59.76 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 30' ' ' ASN . 63.6 mt -142.21 160.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.091 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.506 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.0 p-10 -167.0 29.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.829 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -138.09 111.99 8.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.261 0.553 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.9 p90 -145.74 160.86 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.395 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 33.6 m -149.7 125.59 2.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.188 0.518 . . . . 0.0 111.866 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.3 t80 -126.69 54.02 1.63 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.482 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 17.2 tptm -121.56 84.51 2.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.8 p30 160.72 -102.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.075 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -153.85 17.45 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.951 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 39' ' ' LEU . 24.2 t -149.33 162.7 4.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.18 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.5 mp -119.78 119.87 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.64 146.22 44.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.975 0.417 . . . . 0.0 110.275 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.7 mt -141.31 137.16 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -60.87 134.73 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.462 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tp -161.81 103.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.181 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.563 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 mp0 -90.38 -42.97 10.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.07 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.533 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -37.7 117.55 0.58 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.992 0.425 . . . . 0.0 110.861 -179.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.41 -42.68 99.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.761 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' ASN . 52.8 t80 -67.58 -68.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.302 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.16 -32.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.803 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -81.5 -36.37 29.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.937 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.0 t-20 -53.91 -55.88 22.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.359 0.599 . . . . 0.0 110.727 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.24 -47.61 56.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.281 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 52' ' ' LEU . 16.1 mt -48.87 -56.44 8.76 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.973 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -70.76 -12.33 61.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.822 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.01 -29.35 65.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 24.9 p-10 -165.29 82.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.057 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 58' ' ' ILE . 2.8 p -111.64 59.26 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 59' ' ' ILE . 7.2 mp0 -72.29 41.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.192 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 56' ' ' SER . 13.6 mm -63.16 -1.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.451 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.0 tt -88.33 -2.75 9.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -20.53 55.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.685 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 1.015 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -119.91 -40.04 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.013 0.435 . . . . 0.0 110.078 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -64.13 -10.47 22.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.556 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.8 17.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.654 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' TYR . 61.7 m -119.16 -69.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -39.85 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.952 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 57.0 m-85 -119.29 -169.45 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.713 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.33 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.297 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.01 84.09 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 66' ' ' TYR . 6.1 mm -53.29 142.64 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.465 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -86.29 -38.01 17.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.67 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -176.51 179.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.3 t -146.82 145.32 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.851 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -166.94 160.52 14.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.68 0.753 . . . . 0.0 111.878 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.734 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.42 145.27 47.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.112 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 m -148.48 -175.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.083 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 159.49 28.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 42' ' ' LEU . 12.2 tm-20 -37.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.569 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.461 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 4.7 mt-30 -47.85 -53.36 15.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.37 -63.55 1.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.6 t80 -42.56 -50.76 5.3 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.753 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -57.63 -62.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' A' ' 81' ' ' PHE . 23.0 t80 -27.91 -40.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 110.673 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -63.73 -41.52 98.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.753 ' N ' ' O ' ' A' ' 81' ' ' PHE . 2.8 mm? -75.33 -11.46 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.047 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.05 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.76 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.9 tttt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.785 -179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.3 pp20? . . . . . 0 N--CA 1.458 -0.07 0 CA-C-O 120.856 0.36 . . . . 0.0 110.406 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.8 tt0 -45.0 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 23.5 m-85 -41.49 -51.5 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 109.852 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.533 HD22 ' C ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -59.21 -29.79 67.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.767 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 1.003 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -81.43 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.128 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -48.77 80.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.197 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 32.2 ttpt -60.41 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 49.4 m -52.76 -27.28 17.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.53 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -59.24 -50.17 75.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 14' ' ' HIS . 9.3 mt -51.26 -45.72 62.15 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LEU . 16.2 tttm -38.41 -56.06 1.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.976 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 t60 -71.41 -63.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.691 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.85 24.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -54.76 -35.5 63.84 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.426 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -88.46 -30.36 19.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 44.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 1.052 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.5 tt -53.82 -85.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 1.052 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -23.75 -62.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -42.39 -46.51 4.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 19' ' ' ILE . 51.9 t-80 -67.33 -24.56 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.758 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 t70 -90.13 -2.11 58.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -70.55 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.707 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.61 ' O ' ' N ' ' A' ' 27' ' ' LYS . 9.4 m-85 -110.77 -69.95 0.84 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.588 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.7 mp -40.77 -15.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.346 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' O ' ' A' ' 25' ' ' TYR . 74.5 tttt -6.34 -63.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ILE . 42.7 t0 -155.25 -30.03 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.233 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 30' ' ' ASN . 29.6 mm 53.08 166.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.581 ' N ' HG22 ' A' ' 29' ' ' ILE . 89.0 m-20 -146.92 11.93 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.219 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.55 ' H ' HG22 ' A' ' 29' ' ' ILE . 2.5 tpm_? -136.81 95.6 3.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.208 0.528 . . . . 0.0 111.063 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.04 149.55 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.131 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 m -149.08 134.24 10.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.195 0.522 . . . . 0.0 111.712 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 5.9 p90 -135.5 49.6 2.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 11.8 ptmm? -127.25 43.19 3.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 35' ' ' LYS . 82.4 m-20 -157.27 40.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.099 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 56.29 8.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.346 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 39' ' ' LEU . 39.4 t -146.05 156.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.4 mp -119.8 115.23 23.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.954 0.407 . . . . 0.0 110.776 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 41' ' ' ILE . 5.1 tt -119.67 147.35 44.66 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.569 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.635 ' N ' HD23 ' A' ' 40' ' ' LEU . 16.0 mt -143.77 138.1 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.2 mm? -63.3 136.01 57.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.575 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.2 tp -159.2 97.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' GLU . 21.6 pt-20 -90.82 -40.97 11.47 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.481 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 17.5 m120 -42.84 87.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.983 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' GLU . 35.1 tt0 -32.46 -44.57 0.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.012 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.2 m-85 -60.61 -69.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.52 -34.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.382 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -80.09 -31.76 39.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.984 0.421 . . . . 0.0 110.308 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 47' ' ' PHE . 19.3 t30 -54.94 -45.73 74.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.928 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -47.23 7.88 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.648 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 52' ' ' LEU . 36.3 mt -49.1 -53.13 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.471 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -74.19 -10.79 59.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.845 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.6 -30.58 63.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -148.95 61.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.176 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 58' ' ' ILE . 39.6 t -87.73 45.11 1.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.38 41.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.352 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 60' ' ' HIS . 22.2 mm -65.04 -22.81 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.47 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.4 tt -61.75 -1.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.312 0.577 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.507 ' H ' ' C ' ' A' ' 58' ' ' ILE . 5.3 m170 -79.49 -35.05 40.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.095 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.768 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -114.37 -43.29 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.948 0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.24 -32.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -3.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.283 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.713 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.4 t -102.75 96.78 7.08 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.003 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER 154.45 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.895 0.747 . . . . 0.0 109.069 179.435 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.488 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 10.0 p90 -173.85 78.34 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 4.1 pm0 -36.12 130.1 0.66 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.897 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.59 -9.55 1.65 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.7 mm -50.68 110.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.369 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 71' ' ' SER . 19.3 mmtp -81.38 -37.08 28.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 17.3 m -175.62 177.12 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.676 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.65 146.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.685 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 8.1 t-20 -173.0 160.74 4.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.675 0.75 . . . . 0.0 112.222 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.705 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.56 148.32 52.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.202 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.511 HG22 HD21 ' A' ' 40' ' ' LEU . 18.8 m -144.84 -152.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.117 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.618 ' ND2' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -111.76 162.31 15.38 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 111.025 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.28 -72.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.698 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -48.11 -51.13 25.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.68 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -51.45 -62.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.807 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.545 ' CD2' HD22 ' A' ' 40' ' ' LEU . 5.7 t80 -42.54 -42.7 3.44 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.4 t80 -56.65 -65.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.726 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -37.85 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.375 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t30 -78.61 -52.98 7.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.011 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 84' ' ' LEU . 1.3 pp -77.01 -20.32 56.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.85 -21.62 62.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.656 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.9 pm0 . . . . . 0 CA--C 1.527 0.073 0 CA-C-O 120.85 0.357 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.9 tp-100 -40.52 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 5' ' ' ASN . 1.8 p90 -45.47 -44.91 12.71 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.556 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 14.6 t30 -60.77 -27.83 68.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 0.0 109.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -54.13 -43.75 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.438 . . . . 0.0 109.864 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 15.1 ttpp -67.58 -43.07 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.397 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 18.0 p -62.75 -20.05 64.57 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.174 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -75.42 -30.08 59.93 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.704 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.7 mt -66.82 -43.93 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLU . 14.4 ttmt -39.62 -52.03 2.24 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -42.57 65.38 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -67.15 -62.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.824 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -89.66 29.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.916 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.0 tt0 -52.0 -59.75 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.034 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -78.05 4.33 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.034 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -132.41 39.84 3.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.335 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.706 HG23 ' N ' ' A' ' 20' ' ' GLY . 13.6 tt -75.42 -59.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.706 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -28.98 -62.17 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -44.38 -47.58 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 109.999 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.6 t-80 -66.26 -38.43 87.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.69 -16.54 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.668 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 tptt -100.26 -50.3 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -87.33 -81.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.162 0.506 . . . . 0.0 111.829 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 29' ' ' ILE . 69.5 mt -47.54 -33.4 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.078 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 29' ' ' ILE . 46.5 tttp -37.93 -61.7 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.304 . . . . 0.0 111.283 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 66.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.679 HD11 ' HB3' ' A' ' 42' ' ' LEU . 3.7 tp -167.63 165.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.463 ' C ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -176.82 43.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.49 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.18 109.61 10.56 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -146.03 135.98 23.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.631 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.9 m -132.34 131.54 60.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.367 0.603 . . . . 0.0 112.042 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 66' ' ' TYR . 3.3 t80 -128.16 132.94 48.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.941 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 177.16 -20.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.799 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.634 ' C ' ' H ' ' A' ' 38' ' ' VAL . 7.8 p-10 -119.4 50.29 1.26 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.1 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 36.2 t-20 54.27 -2.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.634 ' H ' ' C ' ' A' ' 36' ' ' ASN . 86.9 t -119.63 153.31 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 38' ' ' VAL . 5.1 mp -126.38 125.58 42.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.431 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.85 145.01 44.89 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.656 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -139.9 135.63 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.679 ' HB3' HD11 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -61.86 135.45 57.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.158 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.8 tp -154.41 105.19 2.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 46' ' ' GLU . 9.6 pt-20 -90.2 -54.15 4.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.261 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 m-80 -38.06 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 110.796 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 44' ' ' GLU . 8.7 tp10 -40.71 -41.14 1.46 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' ASN . 79.0 t80 -61.31 -67.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.21 -29.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -85.29 -33.9 22.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 109.956 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.5 t-20 -52.59 -45.89 66.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.363 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.41 -46.32 8.43 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.981 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 52' ' ' LEU . 30.5 mt -48.94 -56.26 9.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.249 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' A' ' 49' ' ' ARG . 1.7 p-10 -69.53 -12.81 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.701 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -72.39 -28.27 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -162.17 72.06 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 58' ' ' ILE . 3.4 p -100.31 55.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -70.6 41.54 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.294 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 58' ' ' ILE . 86.3 mt -68.96 -7.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -77.73 0.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.42 0.629 . . . . 0.0 109.544 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -80.79 -22.72 39.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.926 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -126.82 -37.37 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.716 0.294 . . . . 0.0 110.511 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.17 -32.49 48.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -69.1 31.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.445 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 62' ' ' ALA . 23.4 p -123.16 -37.55 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.319 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -90.01 -29.74 18.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 60.2 m-85 -118.98 50.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.042 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' TYR . 4.0 pt-20 -31.39 110.81 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.109 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 122.31 3.24 9.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -46.5 125.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.081 0.467 . . . . 0.0 110.994 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -86.61 -34.46 19.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.652 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m 174.04 -171.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.322 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -147.2 144.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.941 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 19.6 t-20 -159.83 156.74 27.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.451 0.643 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.663 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.93 148.27 48.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.497 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.1 m -145.96 -152.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.577 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 26.6 t-20 -112.47 172.27 7.02 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.778 0.799 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.577 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 75.3 mm-40 -38.3 -73.14 0.05 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.81 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -50.6 -51.8 45.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.115 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -51.43 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.156 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE2' HD23 ' A' ' 84' ' ' LEU . 33.0 t80 -43.06 -44.29 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -56.86 -66.83 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.89 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' PHE . 74.5 t80 -31.8 -35.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . 26.0 t-20 -80.01 -54.01 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.025 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.945 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -71.94 -16.33 62.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.03 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.88 -4.06 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.47 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.7 tttm . . . . . 0 N--CA 1.455 -0.202 0 CA-C-O 120.986 0.422 . . . . 0.0 110.425 -179.712 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' ALA . 56.7 mm-40 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.685 0.278 . . . . 0.0 110.678 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.7 tm0? -44.37 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.477 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 1.5 t80 -43.22 -51.0 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -59.34 -25.3 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -83.6 -62.14 1.66 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.06 -48.38 80.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.05 -19.83 21.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.598 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -69.15 -37.82 78.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.6 mt -61.95 -46.99 86.89 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 16' ' ' GLU . 5.8 mmtp -38.15 -56.44 1.18 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -48.85 -42.33 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 109.75 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.3 t60 -69.91 -64.37 0.9 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.299 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -84.94 26.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.718 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.5 tm-20 -52.14 -49.05 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -94.73 -14.59 24.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -105.95 34.08 3.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 20' ' ' GLY . 14.8 tt -74.98 -55.14 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.662 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -31.22 -43.58 0.1 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 41.8 t80 -58.77 -50.78 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 44.1 t-80 -59.84 -56.25 24.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.465 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.41 -14.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.065 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -68.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 48' ' ' ALA . 61.7 m-85 -68.1 -70.44 0.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 111.359 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' ASP . 25.6 mt -64.29 -61.62 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.699 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 22' ' ' HIS . 41.9 tttm 60.18 -72.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.23 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ILE . 24.8 t0 -155.41 129.03 8.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.772 HG22 ' H ' ' A' ' 31' ' ' ARG . 33.6 mm -108.61 167.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.218 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.577 ' N ' HG22 ' A' ' 29' ' ' ILE . 12.7 t-20 -139.75 3.79 2.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.772 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.2 mmt180 -134.37 92.32 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -144.6 125.81 14.68 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.48 144.03 33.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.214 0.53 . . . . 0.0 111.964 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 2.9 t80 -121.67 56.59 1.06 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.592 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 41.1 mttm -121.98 111.08 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 9.9 t30 139.66 -56.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' ' O ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER 160.33 -13.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.424 179.005 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG12 ' H ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -119.05 179.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.283 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.565 ' H ' HG12 ' A' ' 38' ' ' VAL . 4.6 mp -125.08 123.1 39.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.991 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -117.92 143.18 46.57 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mt -147.09 142.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.939 0.399 . . . . 0.0 111.153 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' CB ' ' A' ' 31' ' ' ARG . 4.1 mm? -70.07 140.92 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -163.93 77.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.83 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.55 -44.69 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.823 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -38.76 101.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 13.2 pt-20 -59.39 -28.63 67.08 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.014 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.6 m-85 -74.19 -73.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -41.53 -34.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.479 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.08 -36.46 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 47' ' ' PHE . 40.9 t30 -54.59 -58.55 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.429 0.633 . . . . 0.0 110.422 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.72 -47.65 62.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.317 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.0 mt -48.74 -52.34 24.22 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.698 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -76.06 -11.72 59.99 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.968 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.63 -25.92 59.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -166.64 60.18 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 57' ' ' GLU . 1.8 t -77.17 -97.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.905 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.6 mt-10 77.17 22.4 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.977 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 58' ' ' ILE . 4.6 mm -47.12 -1.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.222 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.688 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.6 tt -86.13 -25.31 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.905 ' ND1' ' O ' ' A' ' 57' ' ' GLU . 40.0 p-80 -56.97 -11.42 1.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.548 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.883 HD11 ' CE1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -124.19 -49.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 11.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 61' ' ' LEU . 9.6 pt-20 -90.25 27.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.777 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.5 t -120.54 -64.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.47 HD21 ' HB1' ' A' ' 6' ' ' ALA . 1.8 mm? -43.96 -29.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.521 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 6.0 m-85 -118.45 154.28 32.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.358 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -47.16 -14.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' TYR . . . 143.49 90.08 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 39' ' ' LEU . 4.8 mm -44.96 154.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.363 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' HG22 ' A' ' 69' ' ' ILE . 3.3 tmtm? -88.47 -40.07 13.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.119 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -179.54 -178.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.566 ' N ' ' OG ' ' A' ' 71' ' ' SER . 22.5 t -148.46 146.49 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.72 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 12.4 t-20 -164.94 155.02 13.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.365 0.602 . . . . 0.0 111.879 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -127.3 150.89 49.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.286 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 m -150.14 -153.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.59 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.8 t-20 -121.86 173.39 7.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.817 0.818 . . . . 0.0 111.527 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.59 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 25.6 mt-10 -37.16 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.338 -178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -48.26 -50.29 30.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.259 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.27 -65.98 0.47 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.551 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 1.8 t80 -48.32 -36.19 13.82 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -24.22 66.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.695 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -80.04 -28.09 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.137 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.19 24.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.4 mm? -93.34 -71.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.514 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -67.64 -34.57 77.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.687 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 85' ' ' ALA . 43.0 tptt . . . . . 0 N--CA 1.464 0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.4 pt-20 . . . . . 0 C--O 1.227 -0.125 0 CA-C-O 120.881 0.372 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.5 tt0 -44.83 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.277 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.482 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER -43.64 -46.63 7.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.55 -32.0 68.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.21 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -70.01 -54.75 11.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.475 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -43.4 80.33 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.225 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -60.38 -55.7 30.38 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 t -55.55 -27.21 47.66 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.429 -0.908 . . . . 0.0 108.596 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.3 85.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.253 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.7 mt -62.33 -44.97 95.26 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.831 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ttpp -36.42 -59.89 0.62 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -48.59 -40.43 27.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.104 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.9 t-80 -68.63 -62.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.501 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.04 25.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.065 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -50.07 -26.11 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.128 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -95.91 -39.7 9.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.11 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.89 35.83 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.919 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.1 tt -52.0 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.945 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.919 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -30.24 -57.82 0.23 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' GLY . 81.3 t80 -40.88 -49.76 3.21 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' ILE . 41.5 t-80 -61.9 -57.0 13.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.945 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -57.04 -5.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.067 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -93.9 -74.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.684 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.572 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.3 m-85 -101.94 -62.33 1.27 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.298 -178.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 mm -42.02 -15.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.52 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -82.35 -75.9 0.28 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.668 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -38.65 -66.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 30' ' ' ASN . 96.7 mt -43.64 163.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.586 ' N ' HG22 ' A' ' 29' ' ' ILE . 64.6 t30 -172.66 47.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.627 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -131.97 112.89 12.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.488 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -151.4 147.77 27.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.791 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -149.84 143.19 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 4.3 p90 -136.15 62.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.742 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 11.6 tptp -121.32 71.71 0.97 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.935 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 3.0 m120 179.47 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.474 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.631 HD22 ' N ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 154.4 -17.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.902 179.706 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.745 HG12 ' N ' ' A' ' 39' ' ' LEU . 46.1 t -119.85 176.17 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.745 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.2 mp -125.92 123.88 39.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.366 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.68 145.96 45.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.793 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.24 134.84 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.283 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.0 mm? -67.11 132.38 47.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -160.5 98.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.164 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -89.98 -29.53 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -44.29 114.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.15 -33.81 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.028 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 50' ' ' ASN . 7.6 m-85 -75.55 -75.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 110.344 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' PHE . . . -37.24 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.2 ttp85 -85.89 -33.77 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.4 t-20 -55.25 -41.79 72.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.22 0.533 . . . . 0.0 110.884 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.05 -48.92 6.89 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.431 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 52' ' ' LEU . 19.2 mt -45.92 -56.4 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.2 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -71.96 -9.8 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.216 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -74.97 -31.36 61.44 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -166.82 95.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.564 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 7.6 m -148.99 78.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.374 . . . . 0.0 111.198 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 57' ' ' GLU . 1.6 pm0 -79.41 50.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.022 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 mm -53.69 -2.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.024 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.539 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.4 tt -89.95 1.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.413 0.625 . . . . 0.0 109.655 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -82.78 -23.34 33.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.155 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.59 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.65 -38.04 2.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.228 0.537 . . . . 0.0 109.781 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 69' ' ' ILE . . . -56.83 4.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.333 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.0 mm-40 -79.53 -94.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.363 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 63' ' ' GLU . 22.1 t -3.08 -66.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.402 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 63' ' ' GLU . 35.3 tp -40.74 -33.33 0.28 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.572 0.225 . . . . 0.0 110.871 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' GLU . 4.8 m-85 -117.73 -174.33 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.087 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.86 -27.19 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.15 83.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.526 HD12 ' CD1' ' A' ' 39' ' ' LEU . 12.6 mm -44.54 148.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.674 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -85.61 -38.26 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.297 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -178.42 -179.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.0 t -147.69 146.09 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.747 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -167.84 162.6 13.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.332 0.587 . . . . 0.0 111.809 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.492 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.53 148.37 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.699 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -168.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.822 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -87.17 160.61 18.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.225 0.536 . . . . 0.0 111.428 -179.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.412 ' CA ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -38.61 -70.33 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.678 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . 0.477 ' H ' ' CD ' ' A' ' 78' ' ' GLN . 18.8 mp0 -45.94 -54.62 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.681 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.94 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.85 -46.04 3.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 85' ' ' ALA . 3.5 t80 -54.67 -64.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.918 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' PHE . 50.1 t80 -32.99 -36.04 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 6.9 t30 -74.61 -50.76 16.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.939 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 81' ' ' PHE . 44.1 tp -75.5 -19.03 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.36 -40.59 15.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 54.8 tttm . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 -179.762 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 6' ' ' ALA . 46.1 mt-10 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.81 0.338 . . . . 0.0 110.458 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 6' ' ' ALA . 62.5 tt0 -39.52 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -44.91 -45.71 10.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -67.95 -21.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.282 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -85.36 -65.62 0.99 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.732 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.26 -39.64 60.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -74.01 -42.61 60.08 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.721 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -61.22 -23.81 65.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.462 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.93 -46.49 74.63 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 12' ' ' LYS . 51.1 mt -49.44 -57.54 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 11' ' ' LEU . 31.6 mtpt -31.13 -49.15 0.13 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.946 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 10.5 mmmt -49.65 -48.15 49.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.086 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 16' ' ' GLU . 13.5 t-80 -91.72 -41.77 10.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.514 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.31 20.62 0.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 14' ' ' HIS . 67.7 tt0 -80.45 -46.3 16.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.927 0.394 . . . . 0.0 110.282 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -76.91 -14.06 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.272 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -96.9 17.42 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.01 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.6 tt -62.03 1.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 18' ' ' THR . . . -92.04 -66.86 1.12 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.432 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 56.6 t80 -48.65 -32.22 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' LYS . 16.6 t-80 -66.2 -70.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.398 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.69 -29.97 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.631 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -84.69 -75.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.77 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.75 ' CD2' ' HB2' ' A' ' 48' ' ' ALA . 52.6 m-85 -75.68 -72.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.254 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' ASP . 11.7 mm -53.42 -55.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.625 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' HIS . 58.9 tttm 46.83 -91.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.348 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -89.79 -91.11 0.14 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.082 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.629 ' O ' ' O ' ' A' ' 28' ' ' ASP . 38.7 mm 43.61 116.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.001 0.429 . . . . 0.0 111.099 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -140.53 36.8 1.84 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.37 113.97 20.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.185 0.517 . . . . 0.0 110.206 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 16.5 p90 -161.35 153.2 19.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.04 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.1 m -153.21 152.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.116 0.484 . . . . 0.0 111.481 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 10.9 t80 -131.21 51.2 2.16 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.742 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -119.65 55.21 0.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -173.05 38.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 53.85 11.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.378 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 39' ' ' LEU . 43.9 t -149.79 164.51 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.233 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.585 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.1 mp -117.64 120.0 36.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.084 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' CG2' ' A' ' 75' ' ' VAL . 2.2 mt -119.69 140.13 51.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.033 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.1 mt -133.75 132.07 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.7 mm? -57.8 126.22 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.741 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -161.91 87.94 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.597 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 5.8 mp0 -78.44 -26.05 46.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -48.1 122.45 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.4 tp10 -71.08 -52.61 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.502 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.15 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.986 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.75 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -47.9 -60.93 2.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -49.98 -43.62 50.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -47.84 -56.85 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.668 0.746 . . . . 0.0 110.786 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -39.71 68.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.677 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.73 -48.0 82.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.158 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -74.58 -19.42 60.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.92 -25.68 65.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.624 0.726 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -169.47 107.97 0.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.72 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -154.45 82.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.651 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.08 50.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.651 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mm -62.18 -15.11 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.296 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.478 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.1 tt -73.68 3.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.384 0.612 . . . . 0.0 109.356 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.42 -45.39 19.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.48 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.957 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -97.16 -36.57 10.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.774 -179.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.67 -35.91 75.39 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.781 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' A' ' 59' ' ' ILE . 11.9 pt-20 -66.31 34.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 62' ' ' ALA . 22.8 t -122.28 -27.72 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.75 -32.53 17.87 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.613 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 37.4 p90 -166.96 107.17 0.62 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 69' ' ' ILE . 84.2 mt-10 -46.83 -11.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.085 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -52.19 -4.3 0.12 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.557 ' H ' ' C ' ' A' ' 67' ' ' GLU . 4.8 mm -76.07 103.0 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 111.138 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -83.41 -32.6 26.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.052 0.453 . . . . 0.0 109.806 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.9 t 177.34 -173.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.922 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.538 ' N ' ' OG ' ' A' ' 71' ' ' SER . 15.4 t -147.43 146.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.367 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -166.65 156.37 11.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.585 0.707 . . . . 0.0 111.802 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -123.44 141.61 51.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.381 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.433 ' CG2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -154.32 -174.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.43 . . . . 0.0 110.771 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.89 157.16 27.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.04 -31.18 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.659 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.3 -52.88 16.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.061 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -62.73 -49.41 75.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.549 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -52.47 -36.96 55.99 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' A' ' 85' ' ' ALA . 27.3 t80 -62.84 -49.12 76.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.26 -28.43 53.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.471 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -78.19 -47.62 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.742 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 84' ' ' LEU . 2.2 tp -83.56 -5.09 59.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -106.14 13.8 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.932 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.167 0 CA-C-O 120.832 0.348 . . . . 0.0 110.506 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 pt-20 . . . . . 0 C--O 1.227 -0.121 0 CA-C-O 120.817 0.341 . . . . 0.0 110.666 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 15.0 tt0 -36.93 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.211 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -51.66 -36.57 46.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.396 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -59.84 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 3' ' ' GLN . . . -68.71 -55.81 10.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.151 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.851 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -59.85 -36.83 77.67 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.069 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 11' ' ' LEU . 19.5 ttpp -55.32 -57.45 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.986 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -49.5 -40.51 37.84 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 61' ' ' LEU . 1.1 mt -53.39 -33.25 53.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.351 -0.539 . . . . 0.0 109.75 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 11.7 mt -75.95 -28.64 58.0 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.598 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -54.8 -63.7 1.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.189 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -53.24 -39.26 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' HD21 ' A' ' 61' ' ' LEU . 17.7 t60 -65.32 -68.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.185 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.461 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.8 m-85 -73.33 19.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.493 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.01 2.12 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 15' ' ' TYR . 22.8 mtmm -130.23 11.53 5.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.642 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.04 44.36 2.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.747 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -58.23 -75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.172 -179.546 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -23.0 -64.9 0.03 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -40.75 -46.54 2.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.858 0.361 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 19' ' ' ILE . 36.9 t-80 -58.2 -60.19 4.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.219 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.94 -5.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 4.3 tptp -84.7 -71.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.671 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.485 ' CD2' ' CG ' ' A' ' 45' ' ' ASN . 24.5 m-85 -107.52 -67.81 0.93 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . 73.8 mt -41.21 -43.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 35.83 -94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.63 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ILE . 22.2 p-10 -147.53 120.69 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 30' ' ' ASN . 3.4 mt -130.84 168.45 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.913 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.461 ' H ' HG22 ' A' ' 29' ' ' ILE . 14.6 m120 -153.63 39.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.617 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -135.68 109.87 8.34 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -147.17 167.72 23.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.152 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.6 m -141.37 116.02 5.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 111.377 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -127.24 131.48 50.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.387 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 33.8 mtmm -129.9 -52.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.291 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER 163.37 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.415 ' C ' HG23 ' A' ' 38' ' ' VAL . 52.5 t30 -80.26 -49.87 11.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.415 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.65 HG12 ' N ' ' A' ' 39' ' ' LEU . 56.4 t -152.35 166.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.572 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.65 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.1 mp -125.02 126.28 45.17 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.295 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.39 147.24 43.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.6 mt -140.86 139.46 34.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.157 0.503 . . . . 0.0 111.864 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 4.1 mm? -58.95 129.18 40.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' VAL . 18.3 tp -160.15 114.2 2.21 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.77 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -88.6 -69.92 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 25' ' ' TYR . 11.4 m-80 -30.89 89.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 21.7 tt0 -38.01 -38.82 0.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' ASN . 41.1 m-85 -63.46 -66.83 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -36.41 -31.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.543 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 2.2 mtm180 -82.65 -31.94 28.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.485 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -70.77 -22.07 62.43 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.256 -179.484 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.547 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -90.74 -60.01 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.155 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 56' ' ' SER . 56.6 mt -50.28 -35.64 28.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.839 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -95.53 -15.33 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 23.6 t0 -91.52 -26.73 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -157.24 95.97 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.585 ' OG ' HD11 ' A' ' 58' ' ' ILE . 5.7 t -161.88 -60.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mt-10 69.89 52.18 0.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.636 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.585 HD11 ' OG ' ' A' ' 56' ' ' SER . 27.5 mm -61.4 -0.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.177 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.0 tt -88.04 -7.36 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -76.56 -23.73 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.813 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.979 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.16 -41.09 4.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.55 -20.16 30.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.929 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -5.09 30.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 -178.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.4 m -99.43 -34.95 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.282 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -89.49 -34.03 16.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.092 0.472 . . . . 0.0 109.807 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -119.2 109.5 15.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -83.83 121.55 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 15.71 18.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.59 122.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -85.88 -34.02 21.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.938 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.614 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.5 t 174.1 -170.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.216 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.614 ' N ' ' OG ' ' A' ' 71' ' ' SER . 25.6 t -143.45 140.56 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.96 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -141.43 157.87 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.57 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.694 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -147.94 139.45 23.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.922 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' LEU . 21.7 m -149.6 -169.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.564 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.746 HD22 ' H ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -78.68 160.22 27.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.837 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -52.04 -30.59 26.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.108 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.52 -56.7 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.491 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . 0.746 ' H ' HD22 ' A' ' 76' ' ' ASN . 52.7 t0 -55.15 -50.36 69.49 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.947 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.5 t80 -52.66 -43.14 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.949 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.49 -13.29 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -74.05 -39.19 63.67 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.94 -33.25 71.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.974 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.71 -17.49 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.752 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.19 -30.29 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.667 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 14.7 ttmt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.787 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 6' ' ' ALA . 24.4 pt-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.814 0.34 . . . . 0.0 110.605 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' ALA . 40.7 tt0 -45.89 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -41.98 -52.09 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.235 0.541 . . . . 0.0 109.724 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -28.82 64.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.539 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.955 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -80.34 -58.01 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.106 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.2 t80 -60.8 -47.77 84.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.85 -48.45 78.98 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.11 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.2 m -54.5 -29.84 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.911 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -61.7 -46.59 89.03 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLU . 32.8 ttpt -40.26 -57.18 1.79 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.73 -42.77 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 0.0 109.788 178.371 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.04 -58.83 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.275 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -95.38 34.02 1.5 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.4 tt0 -63.92 -57.64 9.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.632 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -83.31 9.54 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.598 HG22 ' HB3' ' A' ' 21' ' ' PHE . 5.0 m -96.77 52.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -59.91 -83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -19.02 -45.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.397 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.2 t80 -68.66 -42.0 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.366 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.758 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.7 t-80 -70.07 -16.57 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.55 -11.71 31.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.977 0.418 . . . . 0.0 110.122 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -86.59 -69.85 0.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.245 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.608 ' O ' ' N ' ' A' ' 27' ' ' LYS . 13.3 m-85 -119.81 -63.46 1.37 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mp -40.41 -15.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -178.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 25' ' ' TYR . 59.5 tttp -11.31 -61.17 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.786 0.327 . . . . 0.0 111.758 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ILE . 16.8 t70 -168.85 96.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 mt -77.89 171.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -145.49 6.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.212 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CB ' HD23 ' A' ' 42' ' ' LEU . 22.6 mmt180 -131.46 98.83 4.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -151.67 129.27 11.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -142.59 155.16 18.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.675 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.684 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.13 122.78 40.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.998 179.004 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -119.07 -70.23 0.8 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.44 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASN . . . . . 0.513 ' O ' HG23 ' A' ' 38' ' ' VAL . 9.3 t-20 -119.72 82.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.752 0.31 . . . . 0.0 110.936 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.6 m120 49.4 13.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.53 ' C ' HD12 ' A' ' 39' ' ' LEU . 78.5 t -119.65 143.13 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 38' ' ' VAL . 9.2 mp -121.19 120.75 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.314 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.35 143.54 46.55 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.3 mt -140.81 135.44 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.056 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 80' ' ' PHE . 3.9 mm? -60.87 137.61 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.8 tp -163.34 97.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 179.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.46 -33.73 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.597 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -43.2 124.07 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.55 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' ASN . 47.3 m-85 -66.28 -67.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.498 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -39.0 -39.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -76.65 -36.86 57.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' PHE . 48.9 t-20 -50.1 -48.25 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.393 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -41.91 11.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.887 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 52' ' ' LEU . 23.7 mt -51.2 -60.81 2.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.701 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -66.46 -13.77 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.788 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -71.12 -27.92 63.93 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -167.0 98.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 58' ' ' ILE . 24.8 p -132.73 67.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.433 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.563 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 14.4 mt-10 -71.26 41.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.772 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 58' ' ' ILE . 78.2 mt -64.18 -5.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.063 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 63' ' ' GLU . 4.6 tt -90.75 -8.66 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.337 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' HIS . . . . . 0.578 ' CE1' HD21 ' A' ' 61' ' ' LEU . 1.8 p-80 -85.61 -2.67 58.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.75 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.739 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.28 -45.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.87 -23.12 63.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.001 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' ILE . 9.1 pt-20 -63.58 33.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.63 -178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.595 ' H ' ' C ' ' A' ' 62' ' ' ALA . 89.3 p -126.17 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.642 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.955 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -43.27 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -119.36 165.19 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.68 -22.66 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.39 91.6 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 39' ' ' LEU . 4.5 mm -49.86 144.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.425 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -81.07 -40.19 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.41 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -175.61 178.16 1.63 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -148.87 148.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.537 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -172.29 160.64 5.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.61 0.719 . . . . 0.0 112.187 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -128.22 146.86 50.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.026 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 43' ' ' LEU . 17.0 m -146.34 -157.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.275 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -105.51 161.79 14.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.009 -179.549 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 14.0 mm-40 -35.52 -70.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.625 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -49.58 -49.97 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 111.059 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -63.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.57 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CD1' HD21 ' A' ' 42' ' ' LEU . 5.9 t80 -45.45 -44.46 12.28 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.172 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.516 ' O ' ' N ' ' A' ' 83' ' ' ASN . 53.2 t80 -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.953 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' PHE . 20.2 t80 -36.08 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.867 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.5 t-20 -75.67 -51.62 12.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.798 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.411 ' CD2' ' CZ ' ' A' ' 80' ' ' PHE . 2.0 pp -83.75 -18.76 36.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 81' ' ' PHE . . . -62.39 -3.18 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LYS . . . . . 0.409 ' H ' ' C ' ' A' ' 84' ' ' LEU . 2.7 tppp? . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -70.52 -18.91 62.94 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.524 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 tt0 -44.37 -72.6 0.06 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -43.16 -48.68 6.46 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.381 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.473 ' ND2' ' OG ' ' A' ' 9' ' ' SER . 0.6 OUTLIER -59.52 -30.01 68.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.584 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.7 -58.55 3.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.234 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.62 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -63.41 -47.22 82.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.837 0.351 . . . . 0.0 110.714 -179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.62 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 26.3 ttpt -62.71 -51.69 66.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.54 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.473 ' OG ' ' ND2' ' A' ' 5' ' ' ASN . 62.8 m -56.79 -27.38 59.67 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 119.633 -0.827 . . . . 0.0 109.286 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.541 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -59.92 -43.79 94.7 Favored 'General case' 0 N--CA 1.453 -0.286 0 N-CA-C 108.98 -0.748 . . . . 0.0 108.98 178.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.1 mt -57.29 -47.28 81.88 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 32.2 ttpt -35.99 -62.15 0.45 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 120.442 -0.503 . . . . 0.0 109.879 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -46.58 -40.53 12.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.131 178.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.3 t-80 -69.13 -57.64 5.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.115 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.511 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.3 m-85 -92.72 31.93 1.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.687 -179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 12' ' ' LYS . 15.8 pt-20 -72.4 21.02 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.76 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.511 ' H ' ' C ' ' A' ' 15' ' ' TYR . 42.0 mtmt -150.23 -25.33 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.407 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.09 35.79 0.22 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.317 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.011 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.0 tt -44.63 -74.37 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.115 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 1.011 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.69 -49.35 0.05 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.871 -0.491 . . . . 0.0 111.871 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -53.71 -52.46 60.01 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 179.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.585 ' N ' ' O ' ' A' ' 19' ' ' ILE . 54.9 t-80 -55.78 -58.69 6.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.208 178.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -55.95 -7.92 0.38 Allowed 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.602 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 21.2 tttp -88.34 -77.1 0.37 Allowed 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.705 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.614 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 29.9 m-85 -111.49 -70.05 0.83 Allowed 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -178.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.589 ' O ' ' C ' ' A' ' 27' ' ' LYS . 6.7 mm -36.48 -25.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.043 -178.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.589 ' C ' ' O ' ' A' ' 26' ' ' ILE . 27.0 ttmt 7.43 -102.64 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.45 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.699 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 35.7 p-10 -140.73 81.23 1.79 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.764 0.316 . . . . 0.0 110.813 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.524 HG22 ' H ' ' A' ' 30' ' ' ASN . 0.6 OUTLIER -76.58 -162.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 109.89 179.687 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.524 ' H ' HG22 ' A' ' 29' ' ' ILE . 59.0 t30 -171.2 22.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.616 -0.434 . . . . 0.0 111.366 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.575 ' CB ' HD23 ' A' ' 42' ' ' LEU . 21.0 mmt180 -129.95 96.92 4.33 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.298 0.571 . . . . 0.0 110.675 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 23.1 p90 -155.4 141.0 17.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.145 -0.934 . . . . 0.0 108.89 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -148.23 153.77 11.2 Favored 'Isoleucine or valine' 0 C--O 1.238 0.45 0 C-N-CA 119.833 -0.747 . . . . 0.0 112.509 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.446 ' CD2' ' N ' ' A' ' 35' ' ' LYS . 3.8 t80 -129.08 131.24 47.26 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 114.573 -1.194 . . . . 0.0 109.509 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.446 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 1.4 mtpp 173.6 45.44 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.877 0.37 . . . . 0.0 110.902 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.654 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.1 OUTLIER 179.11 41.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.268 179.757 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 44.8 m-20 58.56 -6.89 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.352 -179.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.654 ' H ' ' C ' ' A' ' 36' ' ' ASN . 85.5 t -119.71 161.03 19.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.285 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.651 HD12 ' C ' ' A' ' 38' ' ' VAL . 8.0 mp -130.04 132.21 46.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.21 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.625 HD21 HG22 ' A' ' 75' ' ' VAL . 0.4 OUTLIER -118.75 142.97 47.2 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.415 HD12 ' C ' ' A' ' 40' ' ' LEU . 4.7 mp -140.98 138.53 34.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.48 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.575 HD23 ' CB ' ' A' ' 31' ' ' ARG . 0.7 OUTLIER -57.08 136.55 56.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.063 -179.286 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.9 tp -173.45 94.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.127 178.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -83.75 -40.49 18.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.971 -179.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.614 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 23.3 m120 -41.05 116.72 0.76 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.953 0.406 . . . . 0.0 110.754 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -60.81 -48.68 80.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.045 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.565 ' O ' ' N ' ' A' ' 50' ' ' ASN . 39.0 m-85 -62.46 -67.61 0.4 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.518 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.484 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -37.77 -39.14 0.33 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.743 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.3 ttt-85 -75.87 -34.91 60.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.845 -179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' A' ' 47' ' ' PHE . 46.8 t30 -56.5 -63.03 1.33 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.707 0.765 . . . . 0.0 110.146 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.69 -50.32 73.58 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 114.516 -1.22 . . . . 0.0 111.835 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' HA ' HD23 ' A' ' 52' ' ' LEU . 31.7 mt -50.38 -51.26 47.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.097 -178.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.441 ' ND2' ' O ' ' A' ' 50' ' ' ASN . 3.9 p30 -77.37 -15.64 59.28 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.682 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.402 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 73.0 m-20 -74.06 -25.79 60.04 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.27 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 179.0 92.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.369 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -129.67 -71.34 0.62 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.515 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.531 ' OE1' ' CD2' ' A' ' 60' ' ' HIS . 3.1 mt-10 72.28 50.07 0.21 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.107 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 58' ' ' ILE . 38.8 mm -57.58 0.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.862 0.363 . . . . 0.0 110.453 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.531 ' H ' ' C ' ' A' ' 57' ' ' GLU . 2.8 tt -86.42 -28.28 5.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.531 ' CD2' ' OE1' ' A' ' 57' ' ' GLU . 1.0 OUTLIER -51.53 -17.4 0.81 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.51 178.782 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.918 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.96 -42.39 2.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.869 0.366 . . . . 0.0 110.467 179.924 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.21 1.55 1.01 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.094 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.15 18.8 5.54 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.576 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 24.8 t -114.96 -31.44 6.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.742 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' A' ' 3' ' ' GLN . 39.7 tp -79.28 -26.33 42.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.613 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.465 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 15.6 m-85 -119.07 168.46 10.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.458 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.596 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.0 mp0 -49.43 -49.41 45.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 178.53 89.15 0.07 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.821 -0.911 . . . . 0.0 110.821 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.422 HD12 HD13 ' A' ' 39' ' ' LEU . 4.6 mm -48.52 150.1 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.081 0.467 . . . . 0.0 110.736 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.4 mttt -92.97 -35.23 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.475 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.0 p 177.82 -176.2 0.18 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.038 0.447 . . . . 0.0 110.844 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.7 t -150.78 150.34 13.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.661 -0.7 . . . . 0.0 109.837 179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.626 ' ND2' ' H ' ' A' ' 74' ' ' PHE . 1.6 t-20 -157.5 151.18 24.08 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.257 0.551 . . . . 0.0 111.714 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.629 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -126.77 147.67 49.98 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.471 179.403 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.625 HG22 HD21 ' A' ' 40' ' ' LEU . 9.6 m -146.64 -161.61 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.508 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.4 OUTLIER -97.42 159.6 14.82 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 -179.708 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.568 ' HA ' HD11 ' A' ' 42' ' ' LEU . 25.0 tt0 -48.29 -36.64 14.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.312 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -72.39 -53.23 12.88 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.736 -0.385 . . . . 0.0 110.327 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.37 -50.84 72.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.109 0.48 . . . . 0.0 110.253 179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.438 ' CD2' HD21 ' A' ' 42' ' ' LEU . 7.2 t80 -50.69 -41.26 55.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.674 179.205 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -61.03 -35.59 77.29 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.071 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -65.66 -27.67 68.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.962 0.41 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.41 ' CG ' ' CD1' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -67.95 -43.43 79.08 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.565 -179.46 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.421 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -84.33 -16.7 42.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 120.43 -0.508 . . . . 0.0 110.861 -179.888 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -75.38 -23.59 57.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.578 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 12.5 ttmm -43.64 -46.32 7.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.69 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.6 HD12 ' N ' ' A' ' 87' ' ' LEU . 9.5 mp -45.41 129.77 8.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.514 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.2 tt0 -75.34 -133.48 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.437 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' O ' ' OE1' ' A' ' 89' ' ' GLU . 0.2 OUTLIER -80.42 -31.1 37.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.424 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -78.29 169.37 18.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.675 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.4 m -168.1 -120.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.405 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.6 mmm-85 -74.74 64.08 1.21 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.363 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.89 -9.5 58.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.78 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -69.55 136.19 51.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.623 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.866 ' H ' HD12 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -130.86 102.09 5.92 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.385 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -118.53 -173.2 2.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.355 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.483 ' C ' ' H ' ' A' ' 99' ' ' SER . 42.6 tt0 -154.79 140.32 17.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.543 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 98' ' ' ASN . 5.8 t30 -71.54 40.11 0.07 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.479 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.483 ' H ' ' C ' ' A' ' 97' ' ' GLN . 55.8 p -171.16 56.98 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.512 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.737 0 CA-C-O 117.914 -1.492 . . . . 0.0 110.925 -179.986 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.9 mtt . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 68.1 mt-10 -87.22 -41.74 13.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.677 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -36.97 72.99 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.587 ' CD2' ' CZ ' ' A' ' 32' ' ' PHE . 74.8 t80 -63.98 -47.5 80.1 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 178.808 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 40.5 t-20 -58.52 -37.01 74.72 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.837 -0.62 . . . . 0.0 109.712 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.69 -39.91 78.25 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 179.167 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -64.66 -34.49 78.42 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 178.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.8 ttpp -64.07 -49.02 73.92 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.326 178.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.5 t -59.81 -24.9 64.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.462 HD13 ' HB2' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -65.54 -39.47 91.79 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 178.749 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.571 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.5 mt -59.17 -42.04 89.84 Favored 'General case' 0 CA--C 1.522 -0.099 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 16' ' ' GLU . 18.5 ttpp -37.2 -56.59 0.92 Allowed 'General case' 0 N--CA 1.464 0.274 0 C-N-CA 120.636 -0.426 . . . . 0.0 109.92 178.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -50.38 -41.49 51.97 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 178.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.571 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -67.3 -63.21 1.11 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.73 179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.35 26.78 1.01 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.906 -179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.3 tm-20 -50.35 -55.75 14.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.874 0.369 . . . . 0.0 110.174 179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.1 mtmm -78.95 2.1 21.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.281 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.508 ' O ' HG22 ' A' ' 18' ' ' THR . 42.7 m -123.26 55.52 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.505 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.789 HG23 ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -80.1 -62.63 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.325 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.789 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.07 -62.27 0.14 Allowed Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.764 -0.934 . . . . 0.0 110.764 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -43.15 -50.49 6.25 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.573 ' CE1' ' O ' ' A' ' 27' ' ' LYS . 58.4 t-80 -60.77 -49.03 79.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.243 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -61.81 -2.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.432 -0.507 . . . . 0.0 109.751 179.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.499 ' H ' ' C ' ' A' ' 22' ' ' HIS . 17.0 tptt -96.11 -74.59 0.55 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.577 -179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.547 ' O ' ' N ' ' A' ' 27' ' ' LYS . 32.9 m-85 -101.76 -75.8 0.59 Allowed 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 120.001 -0.68 . . . . 0.0 111.876 -178.62 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.597 ' O ' ' C ' ' A' ' 27' ' ' LYS . 87.0 mt -38.03 -24.81 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.634 -0.257 . . . . 0.0 110.974 -179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.597 ' C ' ' O ' ' A' ' 26' ' ' ILE . 71.4 mttt 9.39 -109.37 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.326 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.443 ' O ' ' O ' ' A' ' 29' ' ' ILE . 24.3 t0 -151.44 66.75 0.89 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.079 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.54 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.7 mt -59.39 -138.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.473 -179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.54 ' H ' HG22 ' A' ' 29' ' ' ILE . 4.5 p30 -174.99 33.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.597 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.39 93.78 2.66 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.399 0.618 . . . . 0.0 110.498 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.587 ' CZ ' ' CD2' ' A' ' 4' ' ' PHE . 32.3 p90 -148.83 134.84 19.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.017 179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.496 ' O ' HG23 ' A' ' 33' ' ' VAL . 13.6 m -127.41 128.46 69.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.01 0.433 . . . . 0.0 111.472 -179.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.539 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 9.1 p90 -129.9 53.19 1.94 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.109 179.477 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 16.8 ttmt -119.04 45.11 2.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.391 -179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.419 ' C ' ' H ' ' A' ' 38' ' ' VAL . 57.3 m-80 -159.73 24.39 0.18 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.194 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' A' ' 68' ' ' GLY . 4.2 t-20 75.74 -12.45 0.99 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.316 -179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.694 ' C ' HD12 ' A' ' 39' ' ' LEU . 2.6 t -119.64 168.82 11.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.016 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.694 HD12 ' C ' ' A' ' 38' ' ' VAL . 5.9 mp -129.54 124.18 33.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.916 0.389 . . . . 0.0 111.135 -179.645 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.22 148.13 43.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 179.35 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.3 mt -142.47 138.21 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.906 0.384 . . . . 0.0 110.945 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 42' ' ' LEU . 3.8 mm? -63.15 133.26 54.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.23 179.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.426 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.7 tp -153.5 109.54 3.3 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.355 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 98.3 mt-10 -90.52 -57.61 2.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.548 -179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.518 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 14.3 m-80 -37.08 90.39 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.004 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.6 tt0 -40.84 -26.98 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.042 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.595 ' O ' ' N ' ' A' ' 50' ' ' ASN . 23.0 t80 -70.5 -71.38 0.25 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.033 0.444 . . . . 0.0 110.126 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.89 -30.83 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.387 -179.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -81.72 -31.82 31.9 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.951 0.405 . . . . 0.0 110.144 179.835 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.595 ' N ' ' O ' ' A' ' 47' ' ' PHE . 8.3 t30 -56.25 -44.9 80.13 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.854 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -88.2 -50.05 6.61 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.607 -178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 38.5 mt -47.72 -53.64 14.54 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.256 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 41.5 t30 -72.05 -10.76 60.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.799 -179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 14.9 t0 -73.93 -30.48 62.58 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -158.93 80.16 0.78 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.219 -0.901 . . . . 0.0 109.981 179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.515 ' C ' ' H ' ' A' ' 58' ' ' ILE . 7.6 t -107.69 58.17 0.62 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.09 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.517 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 9.9 mp0 -72.99 31.32 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.287 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.676 ' O ' HD12 ' A' ' 61' ' ' LEU . 86.0 mt -56.65 -19.56 9.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.461 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -67.13 -0.23 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.482 0.658 . . . . 0.0 109.333 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.468 ' H ' ' C ' ' A' ' 58' ' ' ILE . 18.9 m170 -76.06 -25.05 55.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.852 -1.067 . . . . 0.0 111.248 179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.849 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -122.61 -40.11 2.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.755 0.312 . . . . 0.0 110.861 -179.192 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -48.83 -30.61 5.96 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -71.1 33.03 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.38 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 62' ' ' ALA . 11.4 m -130.17 -45.93 1.12 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.493 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.429 ' HB3' ' CD2' ' A' ' 66' ' ' TYR . 0.2 OUTLIER -60.27 -23.84 64.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.152 0.501 . . . . 0.0 109.662 179.686 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.514 ' CD1' ' O ' ' A' ' 66' ' ' TYR . 27.0 p90 177.97 111.85 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.926 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -56.69 164.88 1.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.698 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.419 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 110.6 -0.36 29.16 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 8.8 mm -65.91 127.65 27.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.394 . . . . 0.0 110.575 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.0 tmmm? -99.92 -30.76 11.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.629 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.606 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.0 t 173.65 -171.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.208 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.606 ' N ' ' OG ' ' A' ' 71' ' ' SER . 20.0 t -147.32 145.66 18.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -163.61 157.78 19.82 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.723 0.773 . . . . 0.0 112.058 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.736 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.42 143.83 35.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.664 -1.153 . . . . 0.0 108.807 179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 43' ' ' LEU . 31.1 m -148.12 -161.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.408 -0.517 . . . . 0.0 111.104 -179.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -94.73 161.89 13.99 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.979 0.419 . . . . 0.0 111.018 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -36.88 -70.97 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.573 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -48.94 -52.99 21.6 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.628 -179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.19 -65.08 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.222 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.457 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 4.4 t80 -42.19 -47.97 4.77 Favored 'General case' 0 C--N 1.333 -0.151 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 179.534 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.571 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.5 t80 -56.42 -66.56 0.42 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.214 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' C ' ' O ' ' A' ' 81' ' ' PHE . 49.0 t80 -29.28 -40.74 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.073 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.482 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.4 m-80 -74.03 -49.64 23.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.076 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.571 ' N ' ' O ' ' A' ' 81' ' ' PHE . 41.5 tp -74.78 -18.38 60.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.227 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -74.58 -19.18 60.42 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.616 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -63.69 -63.82 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.677 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.9 mt -40.43 -91.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.734 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 56.7 mt-10 -88.96 -173.01 3.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.656 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 62.66 88.23 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.689 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.521 ' CG ' ' H ' ' A' ' 91' ' ' SER . 8.3 t-20 59.81 -169.74 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.521 ' H ' ' CG ' ' A' ' 90' ' ' ASN . 15.1 p -156.92 61.87 0.52 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.538 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 18.6 mtm-85 48.81 57.02 6.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.673 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 63.9 m-20 -159.46 107.94 1.8 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.584 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 94' ' ' THR . 6.4 t -85.89 91.52 8.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.561 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.61 HD12 ' N ' ' A' ' 95' ' ' LEU . 9.7 mp -55.97 -67.78 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.405 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.4 t80 -158.78 111.6 2.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.435 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.469 ' O ' ' O ' ' A' ' 98' ' ' ASN . 15.3 tm0? -163.71 -7.04 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.526 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.469 ' O ' ' O ' ' A' ' 97' ' ' GLN . 52.7 t30 -53.14 -110.68 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.819 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.9 t -170.67 -139.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.604 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.797 0 CA-C-O 118.014 -1.437 . . . . 0.0 110.931 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.9 ptm . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.538 ' O ' ' N ' ' A' ' 6' ' ' ALA . 84.5 mt-10 -83.47 -23.33 32.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.58 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.521 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.8 tp60 -41.67 -77.1 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.16 -179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.479 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.5 OUTLIER -44.0 -48.07 8.7 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.946 179.724 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 51.0 t30 -63.51 -23.15 67.27 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.538 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -82.57 -63.72 1.32 Allowed 'General case' 0 C--O 1.232 0.134 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.628 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.497 ' CD1' ' C ' ' A' ' 7' ' ' PHE . 0.0 OUTLIER -55.44 -41.79 73.31 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.657 -0.498 . . . . 0.0 109.657 179.717 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.759 ' HZ2' ' HB3' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -66.6 -44.27 82.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.981 179.823 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 10.8 p -60.23 -21.37 61.72 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 119.767 -0.773 . . . . 0.0 109.505 -179.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.563 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -67.98 -40.7 83.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 178.71 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.7 mt -57.74 -46.24 84.74 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 178.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 16' ' ' GLU . 61.7 tttm -37.31 -54.89 1.05 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.102 178.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' O ' ' OE1' ' A' ' 16' ' ' GLU . 4.4 mmtm -51.77 -43.54 63.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.109 0.48 . . . . 0.0 109.9 178.701 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.6 t60 -68.79 -61.95 1.59 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.136 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -85.87 29.21 0.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.67 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.581 ' OE2' ' N ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -55.34 -23.35 23.38 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.96 -179.7 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.581 ' N ' ' OE2' ' A' ' 16' ' ' GLU . 39.1 mtmt -98.86 -42.97 6.92 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.0 110.367 179.724 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -83.04 46.38 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.796 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.806 HG23 ' H ' ' A' ' 20' ' ' GLY . 2.2 tt -60.62 -63.73 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 C-N-CA 120.802 -0.359 . . . . 0.0 110.326 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.806 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.34 -61.55 0.12 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -45.15 -47.6 12.27 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 179.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.589 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.3 t-80 -66.36 -22.13 66.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.996 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.525 ' N ' ' O ' ' A' ' 20' ' ' GLY . 12.0 t70 -83.41 -7.04 59.63 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 178.444 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -91.81 -68.73 0.78 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.098 -0.956 . . . . 0.0 111.76 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.579 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.6 m-85 -110.35 -66.28 1.08 Allowed 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.761 -178.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.566 ' O ' ' C ' ' A' ' 27' ' ' LYS . 3.3 mm -42.03 -17.1 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.714 -179.265 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.579 ' N ' ' O ' ' A' ' 25' ' ' TYR . 84.5 tttt -15.66 -97.65 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.661 179.712 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 29' ' ' ILE . 32.3 p-10 -148.35 52.09 1.01 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.125 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.426 ' O ' ' O ' ' A' ' 28' ' ' ASP . 1.6 mt -41.38 165.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -125.4 22.07 7.79 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.441 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.422 HH11 ' HG2' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -136.1 88.14 2.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.378 0.609 . . . . 0.0 110.742 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 45.1 p90 -148.79 127.57 12.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.239 -0.891 . . . . 0.0 109.071 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.453 ' O ' HG23 ' A' ' 33' ' ' VAL . 28.8 m -119.64 127.16 75.86 Favored 'Isoleucine or valine' 0 C--O 1.235 0.301 0 CA-C-O 121.28 0.562 . . . . 0.0 111.977 -178.67 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -123.67 130.02 52.01 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.122 179.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.466 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 40.0 mtmt -120.96 -57.76 1.85 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.365 -179.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.466 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.0 t30 160.7 -24.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.44 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.434 ' C ' HG23 ' A' ' 38' ' ' VAL . 26.6 m-20 -87.81 -45.67 10.11 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.735 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' N ' ' A' ' 39' ' ' LEU . 48.3 t -154.66 166.29 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.16 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.655 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.7 mp -125.16 123.73 40.26 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.529 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.58 ' C ' HD12 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -118.23 143.81 46.26 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.913 0.387 . . . . 0.0 110.134 -179.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.58 HD12 ' C ' ' A' ' 40' ' ' LEU . 4.2 mp -140.03 135.09 37.4 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.155 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.657 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 3.1 mm? -64.28 132.6 50.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.251 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.457 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.0 tp -162.18 93.41 0.87 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.321 179.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -86.44 -23.49 26.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.258 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 52.1 m-80 -48.21 115.82 1.33 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.515 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -63.69 -33.25 75.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.089 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 50' ' ' ASN . 95.0 m-85 -73.98 -72.57 0.27 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 0.0 110.758 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.63 -33.73 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.092 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.4 ttt-85 -79.39 -36.03 39.8 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 120.75 -0.38 . . . . 0.0 110.562 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.5 t-20 -54.58 -44.7 73.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.309 -179.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -87.9 -46.48 9.36 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.435 -178.323 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.475 ' O ' ' OG ' ' A' ' 56' ' ' SER . 25.9 mt -47.69 -54.19 12.8 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.669 -0.413 . . . . 0.0 111.307 -178.628 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -73.45 -10.19 59.47 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.473 -0.491 . . . . 0.0 111.245 -179.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.66 -30.79 56.94 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.305 179.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -165.54 60.63 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.579 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.475 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 0.6 OUTLIER -83.63 -93.4 0.07 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 -179.914 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.451 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mm-40 70.49 46.02 0.58 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.2 -179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG22 ' O ' ' A' ' 58' ' ' ILE . 17.5 mm -64.4 3.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.845 -179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' H ' ' C ' ' A' ' 57' ' ' GLU . 9.0 tt -86.25 -34.79 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 178.715 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 8.1 m80 -46.33 -12.6 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.17 -0.923 . . . . 0.0 111.701 178.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.861 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -131.22 -48.62 1.0 Allowed 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.394 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.472 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.18 -20.13 16.58 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.547 -179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -62.13 2.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.537 -0.465 . . . . 0.0 111.349 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.544 ' O ' ' N ' ' A' ' 66' ' ' TYR . 69.8 m -96.31 -69.53 0.75 Allowed 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.16 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD22 ' N ' ' A' ' 7' ' ' PHE . 36.2 tp -38.54 -23.75 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.923 -179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.544 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.9 m-85 -118.57 -174.9 2.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.276 179.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -70.67 -40.59 72.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.253 179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.75 78.25 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.717 -0.953 . . . . 0.0 110.717 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.427 HG22 ' N ' ' A' ' 71' ' ' SER . 3.9 mm -41.81 142.62 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.86 0.362 . . . . 0.0 110.611 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 41.5 mttt -79.6 -38.5 33.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.427 ' N ' HG22 ' A' ' 69' ' ' ILE . 6.3 p -179.09 -178.74 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.982 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 29.3 t -149.18 147.91 16.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.266 -0.879 . . . . 0.0 108.814 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -164.51 145.93 8.26 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 119.775 -0.77 . . . . 0.0 112.587 -179.24 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 5.2 m-85 -116.92 141.91 47.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 114.506 -1.224 . . . . 0.0 108.87 178.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 43' ' ' LEU . 6.6 m -142.92 -166.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.243 -179.41 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.434 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -99.02 157.58 16.24 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 121.236 0.541 . . . . 0.0 111.521 -179.031 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -38.0 -46.63 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.287 -179.405 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -70.05 -47.26 62.74 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.412 -0.515 . . . . 0.0 111.007 -179.107 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.8 OUTLIER -52.11 -63.69 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.922 179.625 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.412 ' CG ' HD21 ' A' ' 42' ' ' LEU . 1.7 t80 -48.08 -37.84 16.12 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 178.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -63.81 -32.95 74.63 Favored 'General case' 0 N--CA 1.456 -0.132 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.02 179.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.506 ' CE2' ' NZ ' ' A' ' 86' ' ' LYS . 65.1 t80 -61.26 -30.77 70.67 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -91.72 18.36 7.7 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.377 179.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 42.1 tp -92.81 -18.13 23.26 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.67 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -104.47 -26.1 12.53 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.825 -0.35 . . . . 0.0 111.734 -178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.506 ' NZ ' ' CE2' ' A' ' 82' ' ' PHE . 40.8 mmtm -43.32 -52.78 5.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.036 0.446 . . . . 0.0 110.077 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.785 ' H ' HD12 ' A' ' 87' ' ' LEU . 8.0 mp -39.58 161.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.505 179.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 59.2 tt0 -163.14 150.27 12.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.641 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mm-40 -136.45 -56.68 0.75 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.523 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 47.3 m-20 -70.83 159.17 35.08 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.652 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 7.5 t 179.86 101.07 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -166.77 1.34 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.556 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.519 ' CG ' ' H ' ' A' ' 94' ' ' THR . 32.1 t0 -67.98 -140.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.496 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.519 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 8.4 t -84.86 146.16 27.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.496 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.449 ' C ' HD12 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -161.95 19.91 0.1 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.559 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.76 83.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.487 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 95' ' ' LEU . 55.8 tt0 -165.09 -57.26 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.552 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -166.43 -55.46 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.514 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 12.7 t -169.32 -93.82 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.559 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.68 0 CA-C-O 117.998 -1.446 . . . . 0.0 110.941 179.949 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.494 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.7 mt-10 -79.86 -38.98 31.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 8.7 tt0 -42.31 -78.55 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.077 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.603 ' CD2' ' CE2' ' A' ' 32' ' ' PHE . 5.0 t80 -44.58 -45.85 9.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.698 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -59.97 -28.15 67.42 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.114 179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -78.76 -60.86 2.21 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.19 -179.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.56 -44.69 96.57 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.585 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 24.2 ttpp -60.51 -50.09 74.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.486 179.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.2 m -57.58 -21.48 39.05 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 119.545 -0.862 . . . . 0.0 109.075 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.474 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -66.39 -37.87 86.23 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.461 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.57 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.95 -45.24 94.51 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.635 179.185 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.545 ' O ' ' N ' ' A' ' 16' ' ' GLU . 65.3 mttm -39.08 -53.04 1.84 Allowed 'General case' 0 N--CA 1.465 0.276 0 C-N-CA 120.284 -0.566 . . . . 0.0 109.6 179.52 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -52.88 -41.84 64.73 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.57 ' N ' ' O ' ' A' ' 11' ' ' LEU . 9.7 t-160 -66.74 -62.71 1.31 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.678 179.392 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -88.29 28.77 1.04 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.599 -179.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.6 tt0 -48.83 -59.44 3.57 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.424 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 49.3 mttp -80.77 8.08 8.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.269 179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.2 m -126.44 53.72 1.63 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.404 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.767 HG23 ' H ' ' A' ' 20' ' ' GLY . 14.6 tt -84.23 -60.73 2.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.893 -179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.767 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.32 -63.89 0.13 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.573 ' CD2' ' CD1' ' A' ' 25' ' ' TYR . 50.8 t80 -40.5 -49.66 2.91 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 179.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.549 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.0 t-80 -63.06 -61.82 2.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.396 179.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -52.26 -13.63 0.36 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.817 0.341 . . . . 0.0 111.004 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.3 tptm -101.85 -60.74 1.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.605 -179.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.573 ' CD1' ' CD2' ' A' ' 21' ' ' PHE . 61.8 m-85 -75.71 -71.57 0.36 Allowed 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.549 -178.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.684 HD12 ' N ' ' A' ' 26' ' ' ILE . 1.9 mp -64.94 -65.34 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.714 -179.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' HIS . 6.8 ttmm 67.16 -71.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.821 -179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.2 t0 -172.72 101.29 0.14 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.773 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.621 HG22 ' H ' ' A' ' 30' ' ' ASN . 2.2 mm -83.11 -150.62 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.928 179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.621 ' H ' HG22 ' A' ' 29' ' ' ILE . 2.0 t-20 -170.07 20.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.72 -0.392 . . . . 0.0 111.251 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.482 ' CB ' HD23 ' A' ' 42' ' ' LEU . 20.2 mmm180 -143.0 99.45 3.46 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.033 0.444 . . . . 0.0 110.618 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.603 ' CE2' ' CD2' ' A' ' 4' ' ' PHE . 29.7 p90 -148.51 117.72 6.85 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.5 m -126.84 145.59 34.17 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-O 121.203 0.525 . . . . 0.0 112.075 -178.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -132.72 61.18 1.68 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.729 179.295 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -127.13 41.15 3.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.567 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . . . . . . . . . 39.9 m-80 -158.35 35.81 0.24 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.37 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 57.53 17.39 3.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.397 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.564 HG12 ' N ' ' A' ' 39' ' ' LEU . 44.9 t -150.25 163.39 3.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.083 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.564 ' N ' HG12 ' A' ' 38' ' ' VAL . 4.9 mp -119.85 116.94 26.87 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.801 0.334 . . . . 0.0 110.283 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.734 HD23 ' N ' ' A' ' 41' ' ' ILE . 3.2 tt -118.02 145.04 45.06 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.859 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.734 ' N ' HD23 ' A' ' 40' ' ' LEU . 44.2 mt -143.17 138.47 26.77 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.543 HD21 ' CD2' ' A' ' 80' ' ' PHE . 3.1 mm? -64.27 139.25 58.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.021 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 31.2 tp -156.8 103.64 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.127 179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -87.25 -34.04 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.69 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 -45.61 113.74 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.735 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -65.92 -50.3 64.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.08 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.432 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 34.6 m-85 -57.78 -63.63 1.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.92 0.39 . . . . 0.0 109.988 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 49' ' ' ARG . . . -40.26 -74.39 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 27.9 ttt-85 -36.34 -37.71 0.13 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.006 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 4.2 t-20 -54.66 -57.43 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.428 0.633 . . . . 0.0 110.546 -179.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.17 -48.75 22.12 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.871 -1.059 . . . . 0.0 112.098 -179.383 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 mt -46.29 -57.19 4.81 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -178.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -70.46 -10.59 59.56 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.501 -0.479 . . . . 0.0 110.919 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.77 -27.75 61.31 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.428 HD22 ' C ' ' A' ' 55' ' ' ASN . 0.4 OUTLIER -156.59 71.56 0.7 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.147 179.605 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.481 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.0 p -102.52 54.47 0.78 Allowed 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.127 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -70.47 41.41 0.06 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.283 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.481 ' H ' ' C ' ' A' ' 56' ' ' SER . 10.5 mm -66.35 -13.65 16.39 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.925 HD12 ' O ' ' A' ' 70' ' ' LYS . 3.3 tt -71.85 -6.2 7.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 121.484 0.659 . . . . 0.0 109.56 179.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -75.51 -34.79 60.84 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.979 -1.01 . . . . 0.0 111.09 178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.783 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.28 -43.0 3.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.727 0.299 . . . . 0.0 110.77 -179.277 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -43.55 -31.81 0.8 Allowed 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.168 -179.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -65.52 31.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.072 -179.152 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.624 ' H ' ' C ' ' A' ' 62' ' ' ALA . 3.0 t -135.9 96.16 3.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.745 179.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.553 ' CB ' ' O ' ' A' ' 64' ' ' SER . 3.7 mt 146.5 -27.91 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.816 0.697 . . . . 0.0 110.038 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.511 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 9.0 m-85 -118.44 -175.38 2.86 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.57 -179.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -66.15 -25.88 67.17 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.165 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 157.99 83.25 0.04 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.496 HG22 ' N ' ' A' ' 70' ' ' LYS . 8.3 mm -48.17 157.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.413 . . . . 0.0 110.671 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.925 ' O ' HD12 ' A' ' 59' ' ' ILE . 8.4 tttp -100.78 -106.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.663 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' CG ' ' A' ' 70' ' ' LYS . 71.2 m -103.53 177.11 4.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.422 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.1 t -145.89 143.97 21.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.768 179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.576 ' ND2' ' N ' ' A' ' 74' ' ' PHE . 0.6 OUTLIER -170.8 157.89 5.71 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.497 0.665 . . . . 0.0 112.181 -179.692 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.672 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -127.73 148.35 50.41 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.002 -0.999 . . . . 0.0 109.174 179.234 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.547 HG22 HD21 ' A' ' 40' ' ' LEU . 13.9 m -145.44 -156.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.573 -0.451 . . . . 0.0 111.282 -179.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -107.28 162.43 13.91 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.85 -179.471 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 76' ' ' ASN . 35.5 tp10 -35.6 -70.6 0.08 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.679 -179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -49.91 -51.84 37.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.797 -179.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -63.29 1.18 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.606 -0.437 . . . . 0.0 110.345 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.584 ' CD1' HD22 ' A' ' 40' ' ' LEU . 5.6 t80 -41.63 -49.51 4.15 Favored 'General case' 0 C--N 1.332 -0.163 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.518 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.2 t80 -53.54 -64.62 0.77 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 109.937 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 81' ' ' PHE . 64.3 t80 -32.02 -39.18 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.294 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.9 t-20 -78.85 -51.67 9.39 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.846 0.355 . . . . 0.0 110.847 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 ' O ' HD12 ' A' ' 84' ' ' LEU . 9.1 tp -72.56 -11.57 60.71 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 -179.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.518 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -83.44 -23.44 32.27 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.557 -0.457 . . . . 0.0 110.412 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 ptmm? -98.1 32.0 2.56 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.465 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.653 ' CD2' ' N ' ' A' ' 87' ' ' LEU . 0.1 OUTLIER -57.94 -155.19 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.725 -179.846 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.44 ' O ' ' CB ' ' A' ' 89' ' ' GLU . 44.0 tt0 -48.37 -13.8 0.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.745 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.46 ' N ' ' C ' ' A' ' 87' ' ' LEU . 10.9 tp10 78.35 80.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.501 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.635 HD22 ' N ' ' A' ' 91' ' ' SER . 0.2 OUTLIER -169.23 141.67 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.635 ' N ' HD22 ' A' ' 90' ' ' ASN . 10.3 t -160.82 60.97 0.3 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.621 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -100.63 -172.13 2.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -62.06 103.52 0.38 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.759 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 94' ' ' THR . 15.3 t -116.97 44.15 2.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.621 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.914 ' H ' HD22 ' A' ' 95' ' ' LEU . 1.1 mm? -74.09 14.3 0.43 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.49 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.472 ' O ' ' O ' ' A' ' 95' ' ' LEU . 32.3 t80 55.27 117.91 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.687 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.408 ' O ' ' OD1' ' A' ' 98' ' ' ASN . 11.8 pt20 -165.6 -34.78 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.631 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 97' ' ' GLN . 14.0 m120 -160.71 106.53 1.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.574 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.9 t -163.14 -38.58 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.525 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.767 0 CA-C-O 118.036 -1.424 . . . . 0.0 110.925 -179.988 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' SD ' ' OE2' ' A' ' 2' ' ' GLU . 35.2 ttm . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.613 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -73.22 -29.09 62.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.706 0.289 . . . . 0.0 110.458 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.532 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.2 tt0 -39.39 -76.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.422 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 4.1 t80 -45.86 -43.27 13.41 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.665 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -63.57 -25.44 68.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.271 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.532 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.74 -63.65 1.33 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.844 -179.702 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 1.4 t80 -55.02 -40.13 69.86 Favored 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.724 -0.391 . . . . 0.0 110.16 179.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 19.6 ttpp -68.87 -43.54 75.16 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.967 0.413 . . . . 0.0 111.17 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.8 m -63.75 -17.35 62.95 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.841 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.769 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.0 OUTLIER -76.46 -29.41 56.92 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 178.68 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.769 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.8 mt -67.2 -42.44 84.14 Favored 'General case' 0 CA--C 1.521 -0.139 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 178.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 16' ' ' GLU . 90.1 mttt -38.48 -51.85 1.58 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.994 178.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.46 ' HZ2' ' HB2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -50.56 -43.7 56.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.397 0.617 . . . . 0.0 109.494 178.696 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.552 ' N ' ' O ' ' A' ' 11' ' ' LEU . 4.9 t-160 -69.36 -61.33 1.83 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.317 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -90.36 30.33 1.14 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.742 -178.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.537 ' N ' ' O ' ' A' ' 12' ' ' LYS . 34.8 tt0 -41.84 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.811 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' C ' ' H ' ' A' ' 19' ' ' ILE . 16.1 mtpp -74.24 -25.54 59.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.778 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.7 m -72.44 41.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.668 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.777 HG23 ' H ' ' A' ' 20' ' ' GLY . 2.8 tp -70.26 -62.79 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.441 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.777 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.97 -39.48 0.01 OUTLIER Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.794 -0.522 . . . . 0.0 111.794 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.522 ' N ' ' O ' ' A' ' 19' ' ' ILE . 83.9 t80 -75.63 -48.49 21.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 110.334 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.581 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.1 t-80 -65.92 -16.62 64.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.45 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -90.6 -5.18 56.21 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 178.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 tppt? -89.8 -71.44 0.61 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 114.948 -1.023 . . . . 0.0 111.732 -179.589 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.525 ' CE2' ' OD1' ' A' ' 45' ' ' ASN . 9.2 m-85 -111.85 -59.72 1.95 Allowed 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.548 ' O ' ' C ' ' A' ' 27' ' ' LYS . 4.3 mm -41.51 -49.16 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.211 -179.051 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.548 ' C ' ' O ' ' A' ' 26' ' ' ILE . 63.0 tttt 18.64 -130.93 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.424 179.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.453 ' O ' ' O ' ' A' ' 29' ' ' ILE . 10.9 t70 -125.5 68.5 1.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.162 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.555 HG22 ' H ' ' A' ' 30' ' ' ASN . 1.3 mt -58.15 -145.26 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.604 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.555 ' H ' HG22 ' A' ' 29' ' ' ILE . 37.3 p-10 -167.62 23.19 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.838 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.645 ' HB3' HD23 ' A' ' 42' ' ' LEU . 18.8 mmt-85 -135.52 87.73 2.35 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.332 0.586 . . . . 0.0 110.514 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 51.2 p90 -149.84 125.97 10.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.034 179.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 31.0 m -130.45 143.03 42.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.063 0.458 . . . . 0.0 111.62 -178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 8.7 p90 -134.66 56.78 1.83 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.872 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -122.13 53.0 1.24 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.256 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.563 ' O ' ' ND2' ' A' ' 37' ' ' ASN . 0.9 OUTLIER -174.98 53.05 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.207 -179.729 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.563 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 1.9 p30 42.64 17.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.135 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.532 ' N ' ' O ' ' A' ' 36' ' ' ASN . 97.5 t -148.61 160.36 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.761 0.315 . . . . 0.0 110.687 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.524 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.7 mp -121.8 119.82 32.77 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.075 -179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.58 143.33 46.85 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.349 -0.612 . . . . 0.0 109.349 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.4 mt -139.15 136.7 42.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.263 0 CA-C-O 121.185 0.517 . . . . 0.0 111.531 -179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.645 HD23 ' HB3' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -58.71 132.54 54.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.651 -179.529 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.444 ' O ' ' O ' ' A' ' 75' ' ' VAL . 57.1 tp -158.52 108.19 2.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.283 178.54 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -90.1 -49.13 6.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.525 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 17.1 m-80 -42.19 118.62 1.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.831 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -67.3 -35.81 80.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.654 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 50' ' ' ASN . 68.1 m-85 -63.36 -68.35 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.942 0.401 . . . . 0.0 109.967 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.87 -40.31 1.34 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.375 179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttp85 -71.05 -38.59 72.52 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.378 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' PHE . 18.5 t-20 -52.02 -49.6 63.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.941 -179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -84.74 -43.86 13.89 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.065 -0.971 . . . . 0.0 112.623 -178.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 29.4 mt -51.56 -48.81 62.98 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.475 -0.49 . . . . 0.0 110.902 -178.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.6 t30 -77.74 -12.55 59.98 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.466 -0.494 . . . . 0.0 110.535 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -72.0 -27.71 62.92 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -150.83 57.41 0.92 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.198 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.517 ' C ' ' H ' ' A' ' 58' ' ' ILE . 10.6 m -77.16 45.89 0.47 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.505 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -72.85 29.78 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.445 179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.517 ' H ' ' C ' ' A' ' 56' ' ' SER . 26.8 mm -63.27 -19.65 24.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.767 -179.649 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.46 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 5.1 tt -67.23 1.98 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 121.426 0.631 . . . . 0.0 109.808 179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.471 ' H ' ' C ' ' A' ' 58' ' ' ILE . 23.0 m170 -78.35 -49.04 14.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.929 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.911 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -100.7 -41.75 6.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.806 0.336 . . . . 0.0 110.801 -179.059 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -44.97 -33.77 2.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.3 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 23.3 pt-20 -81.63 29.03 0.38 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.759 -178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 18.9 m -109.34 -34.67 6.48 Favored 'General case' 0 C--N 1.332 -0.167 0 C-N-CA 120.402 -0.519 . . . . 0.0 110.572 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 31.5 tp -73.3 -76.99 0.11 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.548 ' CE1' HD11 ' A' ' 69' ' ' ILE . 42.4 p90 -119.48 114.03 21.67 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.439 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -54.63 158.1 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.549 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 121.4 -10.93 9.81 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.818 -0.913 . . . . 0.0 110.818 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.548 HD11 ' CE1' ' A' ' 66' ' ' TYR . 21.3 mm -59.55 89.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.81 0.338 . . . . 0.0 111.082 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 56.1 mmtt -66.35 -34.93 79.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.119 -0.492 . . . . 0.0 109.949 179.06 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.526 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.4 t 179.06 -176.62 0.25 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.442 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.526 ' N ' ' OG ' ' A' ' 71' ' ' SER . 4.2 t -144.6 141.3 23.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.799 179.665 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.769 HD22 ' H ' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -157.51 153.0 26.33 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.453 0.644 . . . . 0.0 111.826 -179.29 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.769 ' H ' HD22 ' A' ' 73' ' ' ASN . 0.1 OUTLIER -127.4 145.69 50.73 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 115.101 -0.954 . . . . 0.0 109.62 179.752 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 43' ' ' LEU . 5.8 m -147.22 -169.69 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.769 -0.373 . . . . 0.0 110.987 -179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' OD1' ' A' ' 79' ' ' ASP . 0.3 OUTLIER -90.68 155.63 18.69 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 121.067 0.46 . . . . 0.0 111.171 -179.457 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.557 ' HA ' HD11 ' A' ' 42' ' ' LEU . 13.6 tp10 -41.15 -42.84 2.13 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.802 -179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -70.81 -50.29 37.24 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.686 -0.405 . . . . 0.0 110.724 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.444 ' OD1' ' ND2' ' A' ' 76' ' ' ASN . 3.3 m-20 -56.31 -53.75 53.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.171 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.427 ' O ' ' CD2' ' A' ' 84' ' ' LEU . 0.2 OUTLIER -55.54 -44.4 76.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.8 -0.444 . . . . 0.0 109.8 179.495 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -58.78 -35.25 72.48 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.136 0.493 . . . . 0.0 110.588 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.54 -27.5 67.81 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.791 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -68.99 -42.86 75.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.586 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.427 ' CD2' ' O ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -85.83 -18.03 34.03 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.453 -179.241 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -83.22 -27.3 30.06 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.826 -0.349 . . . . 0.0 111.181 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.66 -54.43 16.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.743 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.1 mp -43.9 114.46 0.66 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.61 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -155.79 10.55 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.177 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -155.43 -39.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.459 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.485 ' CG ' ' H ' ' A' ' 91' ' ' SER . 10.9 t-20 -172.69 -132.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.484 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.485 ' H ' ' CG ' ' A' ' 90' ' ' ASN . 86.6 p -148.29 155.67 41.6 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.51 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.8 ptt180 -173.39 150.01 1.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.43 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 94' ' ' THR . 42.1 t0 -77.51 172.15 13.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.756 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.504 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 8.9 t -66.73 -175.39 0.39 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.457 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.6 151.0 1.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.287 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -152.96 -60.51 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.244 0.545 . . . . 0.0 110.351 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -174.59 152.23 1.63 Allowed 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.566 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -71.32 136.07 47.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.476 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.3 m -167.42 -67.41 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.641 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.71 0 CA-C-O 118.004 -1.442 . . . . 0.0 110.857 -179.917 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.5 mmt . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.505 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.3 mt-10 -79.28 14.84 1.36 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.651 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.527 ' OE1' HD12 ' A' ' 65' ' ' LEU . 2.1 tp-100 -44.92 -74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.732 -179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -43.22 -51.14 6.25 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -59.73 -26.6 65.78 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.514 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.9 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -80.35 -60.47 2.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.057 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.61 -44.96 96.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.34 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.9 ttpt -62.07 -48.78 78.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.936 0.398 . . . . 0.0 111.089 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.6 t -57.65 -27.2 62.63 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 119.9 -0.72 . . . . 0.0 110.047 -179.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.728 HD21 ' HB2' ' A' ' 61' ' ' LEU . 0.0 OUTLIER -66.21 -30.36 70.8 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 179.013 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.703 ' N ' HD23 ' A' ' 10' ' ' LEU . 7.1 mt -68.18 -44.24 76.36 Favored 'General case' 0 CA--C 1.521 -0.166 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.467 ' C ' ' O ' ' A' ' 11' ' ' LEU . 43.5 tttp -36.99 -55.05 0.94 Allowed 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 177.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.6 mmtt -53.21 -40.56 64.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.214 178.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.1 t60 -71.2 -62.68 1.31 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.329 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.512 ' CD1' ' OG1' ' A' ' 18' ' ' THR . 3.1 m-85 -78.2 22.04 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.113 -178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -48.08 -27.55 2.37 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.584 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' C ' ' H ' ' A' ' 19' ' ' ILE . 86.3 mttt -91.13 -47.01 7.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.743 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.512 ' OG1' ' CD1' ' A' ' 15' ' ' TYR . 7.8 p -70.65 41.95 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.878 -179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.034 HG23 ' H ' ' A' ' 20' ' ' GLY . 5.0 tt -58.34 -85.47 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.2 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 1.034 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.23 -57.73 0.13 Allowed Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 20' ' ' GLY . 76.7 t80 -39.58 -47.64 1.96 Allowed 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.603 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.8 t-80 -62.31 -52.0 65.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.173 179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -59.57 -2.79 0.38 Allowed 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.315 -0.554 . . . . 0.0 109.665 179.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -96.86 -74.05 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.408 -179.838 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.554 ' O ' ' N ' ' A' ' 27' ' ' LYS . 7.0 m-85 -102.82 -66.8 0.91 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 120.052 -0.659 . . . . 0.0 112.088 -178.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.444 ' HA ' HD12 ' A' ' 29' ' ' ILE . 5.7 mm -38.72 -23.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 111.193 -178.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.554 ' N ' ' O ' ' A' ' 25' ' ' TYR . 70.3 tttt -81.75 -39.0 24.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.716 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.547 ' N ' ' O ' ' A' ' 25' ' ' TYR . 37.7 t70 -68.8 -35.42 76.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.006 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 30' ' ' ASN . 72.9 mt -43.09 158.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.881 0.372 . . . . 0.0 110.664 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.49 ' N ' HG22 ' A' ' 29' ' ' ILE . 30.9 p30 -164.24 16.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.312 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.5 tpp180 -135.86 113.23 10.67 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.032 0.444 . . . . 0.0 110.785 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 6.5 p90 -152.91 129.35 10.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.617 -0.72 . . . . 0.0 109.443 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.7 m -130.74 143.22 41.57 Favored 'Isoleucine or valine' 0 C--O 1.237 0.443 0 CA-C-O 121.323 0.582 . . . . 0.0 111.829 -179.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.68 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.4 t80 -131.27 54.01 1.95 Allowed 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 114.793 -1.094 . . . . 0.0 109.808 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.487 ' C ' ' ND2' ' A' ' 36' ' ' ASN . 0.8 OUTLIER -135.14 90.01 2.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.803 -179.548 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.579 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 1.2 p30 169.02 -41.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.069 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.579 ' CB ' ' O ' ' A' ' 36' ' ' ASN . 21.7 p-10 142.23 10.3 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.559 0 O-C-N 124.073 0.858 . . . . 0.0 110.629 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.676 HG12 ' N ' ' A' ' 39' ' ' LEU . 40.3 t -153.95 170.98 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.676 ' N ' HG12 ' A' ' 38' ' ' VAL . 6.2 mp -118.39 115.36 24.52 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 145.33 45.97 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.342 -179.544 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 4.7 mp -140.09 134.75 36.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.671 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -66.73 133.66 50.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.066 0.46 . . . . 0.0 111.218 -179.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 35.7 tp -150.83 108.56 3.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.18 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -90.38 -40.05 12.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.729 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.487 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 25.0 m120 -42.26 114.05 0.52 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 -179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -68.23 -39.51 82.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.868 -0.606 . . . . 0.0 111.067 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -62.33 -66.35 0.55 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.014 0.435 . . . . 0.0 109.985 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 51' ' ' SER . . . -43.11 -69.47 0.14 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.107 0.48 . . . . 0.0 110.031 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.446 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 14.4 ttp85 -36.05 -40.46 0.21 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.248 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.542 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 11.6 t-20 -57.71 -47.82 81.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.595 0.712 . . . . 0.0 110.517 -179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.534 ' OG ' ' N ' ' A' ' 52' ' ' LEU . 25.7 p -81.16 -55.07 4.99 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 114.592 -1.186 . . . . 0.0 112.643 -178.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.534 ' N ' ' OG ' ' A' ' 51' ' ' SER . 33.8 mt -44.05 -54.73 5.23 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.817 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.616 HD22 ' N ' ' A' ' 54' ' ' ASP . 0.1 OUTLIER -70.73 -11.14 60.76 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.917 -179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.616 ' N ' HD22 ' A' ' 53' ' ' ASN . 6.6 t70 -72.4 -29.41 63.71 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 108.889 -0.782 . . . . 0.0 108.889 178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.417 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 3.7 t30 -149.83 62.97 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.139 -0.937 . . . . 0.0 109.812 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.4 t -96.43 51.27 1.18 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.201 -179.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -79.2 47.34 0.78 Allowed 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 58' ' ' ILE . 22.1 mm -62.8 0.75 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.381 -179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.5 tt -89.02 -29.1 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 121.038 0.447 . . . . 0.0 109.843 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.4 m80 -55.75 -14.37 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.789 178.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.753 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -126.39 -48.54 1.56 Allowed 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.652 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.9 8.93 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.125 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' H ' ' C ' ' A' ' 61' ' ' LEU . 16.7 pt-20 -90.16 26.15 1.97 Allowed 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.635 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 66' ' ' TYR . 72.1 p -121.79 -69.23 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.711 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.9 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -39.58 -27.79 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.958 -179.638 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.433 ' N ' ' O ' ' A' ' 64' ' ' SER . 19.3 m-85 -119.27 170.62 8.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.4 -179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -59.13 -31.14 68.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.51 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.88 85.4 0.05 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.457 HD12 HD13 ' A' ' 39' ' ' LEU . 5.4 mm -47.2 146.83 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.762 0.315 . . . . 0.0 110.464 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' HZ2' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -83.9 -39.43 19.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.151 179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.419 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 20.2 t -174.87 175.94 2.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.678 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.419 ' N ' ' OG ' ' A' ' 71' ' ' SER . 8.7 t -148.91 147.5 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.996 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 9.2 t-20 -173.28 159.52 3.82 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 121.612 0.72 . . . . 0.0 112.011 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.584 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -131.43 148.5 52.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.062 179.448 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 18.6 m -142.66 -155.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.61 -0.436 . . . . 0.0 111.067 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 77' ' ' GLU . 1.3 m-20 -106.01 161.37 14.54 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.934 0.397 . . . . 0.0 110.729 -179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' ASN . 9.7 tm-20 -35.38 -68.73 0.12 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.585 -179.328 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -51.95 -50.69 60.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.171 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.403 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 3.9 m-20 -51.56 -62.03 1.88 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.689 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.2 t80 -40.9 -46.73 2.84 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.832 0.348 . . . . 0.0 110.33 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.497 ' O ' ' N ' ' A' ' 83' ' ' ASN . 59.6 t80 -55.46 -67.81 0.25 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.45 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 81' ' ' PHE . 24.0 t80 -35.69 -30.55 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.021 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 13.0 t30 -75.75 -51.99 11.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.848 -179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.407 ' CD2' ' CZ ' ' A' ' 80' ' ' PHE . 1.8 pp -80.4 -15.94 55.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.905 0.383 . . . . 0.0 110.494 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.428 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . . . -77.96 -32.92 51.68 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.548 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.431 ' O ' ' O ' ' A' ' 87' ' ' LEU . 3.9 tppt? -53.07 -80.93 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.405 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.431 ' O ' ' O ' ' A' ' 86' ' ' LYS . 0.6 OUTLIER 38.99 -162.0 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.802 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 59.85 -133.42 0.86 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.482 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 45.25 61.05 2.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.563 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.45 HD22 ' H ' ' A' ' 90' ' ' ASN . 0.2 OUTLIER -44.24 145.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 51.0 p -151.91 155.01 37.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.593 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 35.2 mmt-85 -85.79 -125.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.646 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -44.98 148.08 0.59 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.77 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 95' ' ' LEU . 8.8 t -94.09 155.89 16.86 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.532 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.456 ' O ' ' N ' ' A' ' 97' ' ' GLN . 6.7 mp 46.49 97.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.363 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -57.23 84.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.473 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' LEU . 60.4 tt0 -169.93 -76.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.563 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 27.1 p30 -154.1 -160.26 1.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.6 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.4 m -121.09 -75.71 0.59 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.482 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.784 0 CA-C-O 118.087 -1.396 . . . . 0.0 110.852 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.8 mpp? . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.477 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.2 pt-20 -80.62 -16.71 53.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.606 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.1 tt0 -42.77 -77.68 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.256 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.597 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 1.6 p90 -45.04 -44.96 10.54 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.707 -0.397 . . . . 0.0 110.089 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.597 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -62.4 -26.92 68.74 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.512 179.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -79.13 -61.71 1.93 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.365 -179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -56.42 -42.31 77.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.004 0.431 . . . . 0.0 109.913 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.6 ttmt -67.74 -45.64 74.41 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.152 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 11.4 p -57.91 -21.64 44.59 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 119.527 -0.869 . . . . 0.0 109.095 -178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.49 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -70.17 -45.93 65.71 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.304 -0.862 . . . . 0.0 109.361 178.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.465 ' O ' ' N ' ' A' ' 14' ' ' HIS . 3.3 mt -51.81 -44.17 63.4 Favored 'General case' 0 CA--C 1.522 -0.112 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 179.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' N ' ' A' ' 16' ' ' GLU . 3.7 ttmp? -38.7 -62.32 0.62 Allowed 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.051 179.168 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.74 -41.04 3.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.149 0.5 . . . . 0.0 110.119 178.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.601 ' CG ' HD21 ' A' ' 61' ' ' LEU . 0.4 OUTLIER -71.39 -60.85 2.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.261 179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 -90.88 31.07 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.384 -179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 12' ' ' LYS . 5.1 pt-20 -47.72 -47.89 29.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.78 0.324 . . . . 0.0 110.756 -179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.8 mttp -93.28 2.56 56.55 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.481 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.8 m -124.81 46.62 2.29 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.51 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.732 HG23 ' N ' ' A' ' 20' ' ' GLY . 15.2 tt -88.24 -59.57 2.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.724 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.732 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -30.51 -59.46 0.23 Allowed Glycine 0 CA--C 1.526 0.746 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.42 ' C ' ' O ' ' A' ' 20' ' ' GLY . 20.1 t80 -39.54 -46.59 1.77 Allowed 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 179.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.556 ' N ' ' O ' ' A' ' 19' ' ' ILE . 13.6 t-80 -63.0 -57.61 10.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.532 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -58.88 -15.32 12.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.211 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.42 -57.76 2.05 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.461 -179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -77.7 -73.22 0.32 Allowed 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.872 -0.331 . . . . 0.0 111.469 -178.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.0 mt -62.23 -62.68 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.281 -178.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 29' ' ' ILE . 23.9 mtmt 64.93 -176.57 0.17 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.424 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -55.89 80.28 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.778 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.5 tp -53.09 163.41 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.035 179.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.467 ' H ' ' HD3' ' A' ' 31' ' ' ARG . 20.5 m120 -145.74 8.31 1.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.841 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.558 ' N ' ' CD ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -137.47 88.67 2.36 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.37 0.605 . . . . 0.0 110.456 179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 9.7 p90 -159.46 145.31 16.07 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.188 -0.915 . . . . 0.0 109.232 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.1 m -149.04 152.13 12.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-O 121.124 0.488 . . . . 0.0 111.473 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.563 ' CD1' ' O ' ' A' ' 34' ' ' PHE . 12.3 p90 -137.11 63.2 1.57 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.011 179.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.4 ptpt -119.85 21.87 11.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.659 -179.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' A' ' 38' ' ' VAL . 77.8 m-20 -128.09 29.14 5.43 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.848 179.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 74.88 -18.04 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.0 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.804 HG12 ' H ' ' A' ' 39' ' ' LEU . 15.9 t -118.5 178.17 2.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.379 -179.295 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.804 ' H ' HG12 ' A' ' 38' ' ' VAL . 5.8 mp -123.18 121.39 35.83 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.85 -179.442 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.405 HD11 HG21 ' A' ' 75' ' ' VAL . 10.2 tt -118.59 144.02 46.4 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.086 -0.507 . . . . 0.0 109.657 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.01 131.1 49.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.112 0.482 . . . . 0.0 110.693 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.546 ' C ' HD23 ' A' ' 42' ' ' LEU . 5.6 tt -78.56 90.46 4.52 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.759 -179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.583 ' N ' ' O ' ' A' ' 75' ' ' VAL . 26.8 tp -99.72 120.5 39.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.109 179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 45' ' ' ASN . 34.3 mt-10 -91.24 -71.41 0.63 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.824 -179.221 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.469 ' O ' ' CG ' ' A' ' 49' ' ' ARG . 88.1 m-20 -29.42 104.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.945 -178.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -48.26 -40.81 25.87 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.58 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.561 ' O ' ' N ' ' A' ' 50' ' ' ASN . 8.9 m-85 -60.23 -66.95 0.44 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.058 0.456 . . . . 0.0 109.814 -179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.59 -32.83 0.14 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.518 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.62 ' NH1' ' ND2' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -82.66 -32.95 27.92 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.301 -0.56 . . . . 0.0 109.796 179.351 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.561 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -52.63 -47.21 67.17 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.498 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.17 -44.63 9.64 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.674 -178.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 52' ' ' LEU . 26.0 mt -47.71 -55.49 9.39 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.529 -0.469 . . . . 0.0 111.264 -178.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.468 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.7 OUTLIER -72.17 -9.72 58.82 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.839 -179.461 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -75.84 -31.9 59.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.849 0.357 . . . . 0.0 110.353 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -165.88 68.41 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.659 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 1.6 m -91.23 -91.69 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.521 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 71.93 51.29 0.22 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.652 -179.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.572 HG22 ' O ' ' A' ' 58' ' ' ILE . 51.7 mt -71.91 -0.99 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.167 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.433 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 4.2 tt -83.86 -3.78 7.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 N-CA-C 108.894 -0.78 . . . . 0.0 108.894 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -75.85 -10.69 59.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.068 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.916 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -138.69 -35.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 0.0 110.6 -179.712 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.537 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -61.03 -25.23 66.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.982 -0.553 . . . . 0.0 111.342 -179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -68.59 34.88 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.827 -0.349 . . . . 0.0 111.108 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.537 ' H ' ' C ' ' A' ' 62' ' ' ALA . 33.4 m -129.71 -31.64 1.97 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.991 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.2 tp -86.81 -25.34 24.63 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.565 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.429 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 18.9 m-85 -117.82 -172.83 2.32 Favored 'General case' 0 N--CA 1.464 0.238 0 N-CA-C 109.962 -0.384 . . . . 0.0 109.962 179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -89.6 95.7 10.38 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.783 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.413 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 40.62 73.35 0.2 Allowed Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.272 -0.731 . . . . 0.0 111.272 179.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 68' ' ' GLY . 3.4 mm -38.59 141.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 179.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.421 ' O ' ' OG ' ' A' ' 71' ' ' SER . 40.2 mttm -84.22 -39.44 19.31 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.596 179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.8 m -179.25 -178.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.988 0.423 . . . . 0.0 111.006 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.1 t -149.15 146.9 17.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.64 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -165.55 165.44 18.95 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.099 0.476 . . . . 0.0 111.429 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.549 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -129.56 165.18 22.22 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.431 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.583 ' O ' ' N ' ' A' ' 43' ' ' LEU . 0.0 OUTLIER -153.13 -164.46 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.522 -179.63 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.62 ' ND2' ' NH1' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -122.68 178.39 5.03 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 121.107 0.48 . . . . 0.0 111.433 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.468 ' HA ' HD11 ' A' ' 42' ' ' LEU . 39.5 mt-10 -34.11 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.365 -0.834 . . . . 0.0 112.255 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 83.3 mt-30 -55.92 -51.03 69.05 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.6 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.563 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 7.4 m-20 -52.57 -61.2 2.44 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.39 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.482 ' CD1' ' C ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -44.82 -43.65 8.87 Favored 'General case' 0 C--O 1.232 0.142 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.214 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 84' ' ' LEU . 3.9 t80 -60.4 -67.05 0.43 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.674 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.497 ' C ' ' O ' ' A' ' 81' ' ' PHE . 78.9 t80 -28.55 -38.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.03 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.0 t30 -76.8 -50.22 14.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.308 179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . 43.2 tp -74.3 -25.3 59.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.368 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.553 ' HB2' ' CD1' ' A' ' 81' ' ' PHE . . . -71.17 -9.57 58.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.526 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 38.0 ttpt -50.55 -44.14 56.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.709 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.87 132.14 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.53 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -72.32 134.03 45.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.572 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 82.4 mt-10 -113.94 -96.52 0.45 Allowed 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.506 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -177.93 144.83 0.36 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.638 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 31.1 t -162.9 -2.79 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.471 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 19.0 ptt180 -78.75 -165.51 0.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.527 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 63.59 8.91 3.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.691 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.604 HG23 ' O ' ' A' ' 94' ' ' THR . 8.1 t -81.31 111.8 18.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.702 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.582 HD12 ' N ' ' A' ' 95' ' ' LEU . 10.2 mp -94.77 147.71 23.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.292 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.452 ' CD2' ' N ' ' A' ' 96' ' ' TYR . 0.0 OUTLIER -44.0 124.49 3.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.386 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -166.9 92.7 0.44 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -72.21 -73.71 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 t -168.68 2.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.529 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.711 0 CA-C-O 118.022 -1.432 . . . . 0.0 110.917 -179.967 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.491 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 2.4 ptt? . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.491 ' H ' ' CG ' ' A' ' 1' ' ' MET . 8.5 pt-20 -89.82 -30.74 17.75 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.475 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.51 ' O ' ' N ' ' A' ' 6' ' ' ALA . 11.4 tt0 -41.44 -74.06 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.934 179.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.489 ' CD2' ' N ' ' A' ' 4' ' ' PHE . 0.1 OUTLIER -43.48 -49.23 7.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.899 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' O ' ' OG ' ' A' ' 9' ' ' SER . 11.2 t-20 -61.16 -27.34 68.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.519 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.777 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -82.65 -62.59 1.57 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.862 -179.646 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.614 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -56.0 -44.11 78.32 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.614 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 24.2 ttmt -65.44 -44.15 88.23 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.19 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.439 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 7.1 p -57.64 -24.74 58.16 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 119.692 -0.803 . . . . 0.0 109.403 -178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.559 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -64.23 -40.92 97.04 Favored 'General case' 0 C--N 1.332 -0.175 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.679 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.535 ' O ' ' N ' ' A' ' 14' ' ' HIS . 22.1 mt -58.8 -48.28 81.81 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 109.507 -0.553 . . . . 0.0 109.507 179.292 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.482 ' C ' ' O ' ' A' ' 11' ' ' LEU . 56.0 tttm -36.48 -57.33 0.76 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 120.424 -0.51 . . . . 0.0 109.976 179.12 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.4 mmtp -51.2 -43.31 61.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.122 178.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.535 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -68.35 -65.07 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.392 179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -77.95 24.06 0.24 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.971 -179.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -46.67 -63.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.78 -0.368 . . . . 0.0 110.446 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -79.67 -0.58 34.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -110.2 41.89 1.65 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.284 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.93 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.4 tt -77.55 -67.76 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.824 -179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.93 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -29.1 -37.05 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.443 -0.663 . . . . 0.0 111.443 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.554 ' N ' ' O ' ' A' ' 19' ' ' ILE . 72.9 t80 -77.24 -48.95 16.18 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.877 0.37 . . . . 0.0 110.038 179.394 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 55.4 t-80 -62.77 -25.83 68.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.651 179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -85.42 -5.43 59.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.343 0.592 . . . . 0.0 109.56 178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.3 tptp -92.41 -53.02 4.39 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.566 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.608 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 29.1 m-85 -120.69 -70.62 0.78 Allowed 'General case' 0 N--CA 1.466 0.363 0 C-N-CA 119.618 -0.833 . . . . 0.0 112.174 -179.204 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.535 ' O ' ' C ' ' A' ' 27' ' ' LYS . 11.9 mt -41.18 -41.94 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.641 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 26' ' ' ILE . 23.3 ttpp 22.85 -107.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.44 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' A' ' 29' ' ' ILE . 45.2 t0 -157.01 71.95 0.69 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.327 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.609 HG22 ' H ' ' A' ' 30' ' ' ASN . 1.4 mt -57.72 -149.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.503 -179.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.609 ' H ' HG22 ' A' ' 29' ' ' ILE . 47.6 m-20 -154.67 23.99 0.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.529 -179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.551 ' CB ' HD23 ' A' ' 42' ' ' LEU . 2.8 mmp_? -136.12 90.87 2.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.343 0.592 . . . . 0.0 110.72 179.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.527 ' CD1' ' O ' ' A' ' 32' ' ' PHE . 48.8 p90 -147.57 127.51 13.59 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.205 -0.907 . . . . 0.0 108.72 179.247 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.7 m -130.81 139.76 50.39 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.227 0 CA-C-O 121.181 0.515 . . . . 0.0 112.032 -178.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -134.16 141.59 47.14 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.251 -0.886 . . . . 0.0 109.847 179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.612 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 28.9 mtmm -120.03 -34.79 3.62 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.612 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 12.1 t30 140.31 -18.04 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 O-C-N 123.995 0.809 . . . . 0.0 109.603 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -99.32 -42.02 7.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.205 -179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.495 ' C ' HD12 ' A' ' 39' ' ' LEU . 35.7 t -148.53 157.77 7.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.363 -179.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.495 HD12 ' C ' ' A' ' 38' ' ' VAL . 6.3 mp -127.68 127.53 43.88 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.107 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -119.06 143.71 46.97 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 120.901 0.382 . . . . 0.0 110.021 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 77.8 mt -139.51 136.6 40.46 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.721 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.551 HD23 ' CB ' ' A' ' 31' ' ' ARG . 1.7 mm? -59.09 134.59 57.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.282 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 75' ' ' VAL . 14.2 tp -159.06 100.35 1.55 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.698 179.015 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.565 ' O ' ' N ' ' A' ' 46' ' ' GLU . 25.6 mt-10 -87.29 -55.98 3.57 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.394 -179.054 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.608 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 17.8 m120 -35.02 89.02 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.261 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' N ' ' O ' ' A' ' 44' ' ' GLU . 19.4 tt0 -40.26 -30.08 0.09 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.762 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.549 ' O ' ' N ' ' A' ' 50' ' ' ASN . 74.6 t80 -68.39 -69.86 0.3 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.31 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.81 -28.57 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.452 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.563 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 0.1 OUTLIER -85.25 -33.59 22.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.949 0.404 . . . . 0.0 110.1 179.937 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.9 t-20 -55.03 -41.64 71.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.905 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.78 -49.58 6.38 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 114.882 -1.054 . . . . 0.0 112.691 -178.42 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.6 mt -46.68 -58.75 3.54 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.92 -178.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.71 -11.02 52.7 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.71 -179.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -77.24 -29.13 53.94 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.954 0.407 . . . . 0.0 110.27 179.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -165.1 52.67 0.11 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.814 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -80.28 -89.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.567 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 55.0 mt-10 70.4 50.26 0.4 Allowed 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.593 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.436 HG22 ' O ' ' A' ' 58' ' ' ILE . 34.6 mm -67.05 -5.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.058 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.43 HG22 ' H ' ' A' ' 59' ' ' ILE . 7.2 tt -79.69 -7.03 10.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.259 0.552 . . . . 0.0 109.597 179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -72.77 -15.65 61.65 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.036 179.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.861 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -129.84 -45.57 1.16 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.105 0.479 . . . . 0.0 109.781 179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -54.58 -24.95 23.35 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.292 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.439 ' HA ' ' H ' ' A' ' 69' ' ' ILE . 7.6 pt-20 -61.66 1.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.231 -178.722 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.539 ' OG ' ' N ' ' A' ' 65' ' ' LEU . 25.1 p -96.38 -68.65 0.79 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.985 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.777 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -38.53 -24.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.799 -179.515 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 64' ' ' SER . 18.2 m-85 -118.84 175.51 5.72 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.986 -0.376 . . . . 0.0 109.986 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 15.8 pt-20 -63.73 -27.55 69.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.566 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.36 84.88 0.05 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.849 -0.9 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.439 ' H ' ' HA ' ' A' ' 63' ' ' GLU . 5.1 mm -44.95 146.07 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.547 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.413 ' O ' ' OG ' ' A' ' 71' ' ' SER . 5.2 mmtp -90.08 -43.48 10.46 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.429 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 1.3 m -169.59 171.23 7.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.929 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 27.8 t -147.48 145.56 18.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.015 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.553 HD22 ' N ' ' A' ' 74' ' ' PHE . 0.5 OUTLIER -164.97 154.68 13.25 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.482 0.658 . . . . 0.0 111.665 -179.345 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.74 146.1 52.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.385 179.682 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 43' ' ' LEU . 28.4 m -149.13 -160.68 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.666 -0.413 . . . . 0.0 110.948 -179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.563 ' OD1' ' NH1' ' A' ' 49' ' ' ARG . 0.5 OUTLIER -99.15 164.41 12.17 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 121.2 0.524 . . . . 0.0 111.039 -179.71 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' HA ' HD11 ' A' ' 42' ' ' LEU . 60.6 tt0 -37.37 -70.79 0.09 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.342 -0.845 . . . . 0.0 111.601 -179.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -49.15 -52.47 26.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.959 -179.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.507 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 5.2 m-20 -50.19 -62.43 1.59 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.23 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -42.53 -43.83 3.88 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.588 ' O ' ' N ' ' A' ' 84' ' ' LEU . 2.7 t80 -58.98 -68.56 0.26 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.324 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.478 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.6 t80 -29.97 -38.71 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.089 -179.847 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.497 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -73.88 -49.23 25.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.959 0.409 . . . . 0.0 110.095 179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.588 ' N ' ' O ' ' A' ' 81' ' ' PHE . 36.8 tp -73.92 -19.18 60.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.051 179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.89 -33.47 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.719 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.554 ' O ' ' N ' ' A' ' 88' ' ' GLU . 39.3 tptt -47.1 -51.5 17.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.117 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.93 HD22 ' H ' ' A' ' 87' ' ' LEU . 2.8 mm? -41.47 89.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.591 -179.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' A' ' 86' ' ' LYS . 29.7 mm-40 -86.43 -83.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.34 179.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -159.81 -39.87 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.568 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.417 ' O ' ' OG ' ' A' ' 91' ' ' SER . 18.9 m120 -110.84 104.69 13.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.504 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 90' ' ' ASN . 3.3 m -167.57 -1.91 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.752 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.8 ttp180 -111.2 -70.62 0.8 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.639 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.5 t70 61.63 135.12 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.68 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.0 t -117.29 175.56 5.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.468 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 95' ' ' LEU . 1.9 mp -106.47 -7.2 17.67 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.504 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -74.78 -149.32 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.372 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' OE1' ' O ' ' A' ' 98' ' ' ASN . 2.7 tm0? -120.4 114.64 22.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.455 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.415 ' O ' ' OE1' ' A' ' 97' ' ' GLN . 79.1 m-20 -77.37 -123.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.612 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.42 ' H ' ' H ' ' A' ' 100' ' ' GLY . 23.5 m -161.77 -11.03 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.607 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.42 ' H ' ' H ' ' A' ' 99' ' ' SER . . . . . . . . 0 C--O 1.22 -0.744 0 CA-C-O 118.0 -1.445 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.2 mtt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.55 ' O ' ' N ' ' A' ' 6' ' ' ALA . 54.2 mt-10 -83.74 16.16 2.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.707 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.549 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 45.5 tt0 -40.8 -80.96 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.206 -179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -49.19 -41.25 36.3 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.76 -25.2 64.69 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.55 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -73.36 -59.56 2.65 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.994 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -42.48 99.82 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -59.14 -52.79 64.21 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.809 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.0 t -53.99 -27.86 34.23 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 119.58 -0.848 . . . . 0.0 108.953 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.501 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -61.14 -41.64 97.11 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 178.461 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.0 mt -57.3 -44.83 84.42 Favored 'General case' 0 CA--C 1.522 -0.124 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 179.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' C ' ' O ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -38.59 -56.47 1.29 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.662 -0.496 . . . . 0.0 109.662 179.228 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.71 -41.8 64.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.785 178.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.523 ' N ' ' O ' ' A' ' 11' ' ' LEU . 38.1 t60 -67.48 -68.16 0.4 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.371 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -73.69 20.58 0.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.244 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER -56.82 -23.0 40.62 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.313 179.784 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.7 mtmt -87.0 -66.33 0.92 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.162 179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -79.68 39.64 0.42 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.329 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.877 HG23 ' H ' ' A' ' 20' ' ' GLY . 12.5 tt -41.36 -65.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.52 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.877 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.36 -56.26 0.1 Allowed Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -42.55 -47.84 5.24 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.601 ' N ' ' O ' ' A' ' 19' ' ' ILE . 25.0 t-80 -62.79 -47.92 81.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.422 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' O ' ' OD2' ' A' ' 23' ' ' ASP . 7.3 t0 -66.11 2.04 1.29 Allowed 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.094 -0.642 . . . . 0.0 109.412 178.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -98.28 -56.38 2.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.319 -0.855 . . . . 0.0 111.891 -179.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 27' ' ' LYS . 42.7 m-85 -127.15 -61.17 1.17 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 112.072 -179.015 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.408 ' C ' ' O ' ' A' ' 25' ' ' TYR . 9.9 mm -38.28 -23.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' N ' ' O ' ' A' ' 25' ' ' TYR . 44.4 tttm -81.96 -57.78 3.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.456 179.69 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.44 89.41 0.93 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.736 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.678 HD11 ' O ' ' A' ' 42' ' ' LEU . 3.4 tp -158.48 161.48 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.104 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.446 ' OD1' ' O ' ' A' ' 30' ' ' ASN . 12.7 t-20 -165.76 19.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.715 -0.394 . . . . 0.0 111.364 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 tpt180 -138.9 108.87 6.32 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 121.322 0.582 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.469 ' CD2' ' N ' ' A' ' 32' ' ' PHE . 9.5 p90 -156.69 138.35 14.14 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.142 -0.935 . . . . 0.0 109.03 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.0 m -145.91 153.36 13.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 C-N-CA 120.197 -0.601 . . . . 0.0 112.304 -178.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -137.6 145.91 43.35 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 114.955 -1.02 . . . . 0.0 109.41 178.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.5 pttt -176.28 -21.13 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.947 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.467 ' C ' ' H ' ' A' ' 38' ' ' VAL . 62.8 m-80 -119.7 44.72 2.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.28 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 5.6 m120 58.14 4.34 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.39 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.467 ' H ' ' C ' ' A' ' 36' ' ' ASN . 79.3 t -119.65 156.08 22.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.065 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.452 ' N ' HG12 ' A' ' 38' ' ' VAL . 4.9 mp -124.86 123.27 39.57 Favored 'General case' 0 C--O 1.236 0.387 0 CA-C-O 120.845 0.355 . . . . 0.0 110.514 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.22 141.28 48.36 Favored 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.051 -0.722 . . . . 0.0 109.051 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 36.7 mt -140.49 135.73 35.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.159 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.678 ' O ' HD11 ' A' ' 29' ' ' ILE . 2.7 mm? -65.25 136.91 57.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.148 -179.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 19.8 tp -159.41 98.58 1.41 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.281 179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -83.78 -28.77 27.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.541 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.561 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 31.6 m120 -43.49 112.62 0.4 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.721 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -64.76 -48.18 75.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.054 -179.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 50' ' ' ASN . 29.7 m-85 -60.88 -64.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.93 0.395 . . . . 0.0 110.252 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.492 ' HB1' HD12 ' A' ' 52' ' ' LEU . . . -41.33 -73.18 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.23 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HE ' ' HA ' ' A' ' 75' ' ' VAL . 29.1 ttt-85 -36.61 -38.07 0.15 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.78 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 47' ' ' PHE . 1.6 t30 -54.93 -47.73 74.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.297 0.57 . . . . 0.0 110.311 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 48' ' ' ALA . 0.2 OUTLIER -86.24 -48.29 8.67 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 114.942 -1.026 . . . . 0.0 112.132 -179.07 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.492 HD12 ' HB1' ' A' ' 48' ' ' ALA . 4.7 mt -47.0 -53.85 11.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.137 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 0.5 OUTLIER -73.94 -9.83 59.03 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.432 -0.507 . . . . 0.0 110.826 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -74.54 -28.99 61.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.248 0.547 . . . . 0.0 109.558 178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -150.85 61.11 0.93 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.36 -0.836 . . . . 0.0 109.984 179.609 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.488 ' C ' ' H ' ' A' ' 58' ' ' ILE . 77.3 p -83.27 47.24 1.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.951 -179.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.64 32.22 0.11 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.076 179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.488 ' H ' ' C ' ' A' ' 56' ' ' SER . 22.0 mm -60.6 -5.47 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.747 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.434 HG22 ' H ' ' A' ' 59' ' ' ILE . 7.8 tt -79.7 -12.37 13.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 179.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -65.5 -20.86 66.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.115 -0.948 . . . . 0.0 111.059 179.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.931 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.89 -45.95 1.72 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.021 0.438 . . . . 0.0 110.441 -179.636 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.06 -15.33 0.79 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.845 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -74.53 33.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.829 -179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.563 ' O ' ' N ' ' A' ' 66' ' ' TYR . 85.3 p -130.66 -70.26 0.62 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.65 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.911 ' O ' HD13 ' A' ' 65' ' ' LEU . 3.4 tm? -37.58 -24.68 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.438 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.647 ' CZ ' HD12 ' A' ' 65' ' ' LEU . 13.8 m-85 -118.85 -179.52 3.84 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.028 179.431 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.606 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 6.2 pm0 -69.36 -38.73 78.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.74 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 176.33 89.85 0.08 OUTLIER Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 71' ' ' SER . 5.1 mm -59.01 137.98 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.857 0.36 . . . . 0.0 110.795 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -37.37 52.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.846 179.206 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 69' ' ' ILE . 4.4 p 178.01 -176.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.684 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.3 t -146.2 144.15 20.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.535 179.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 35.2 t-20 -163.82 152.36 13.5 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 121.562 0.696 . . . . 0.0 112.346 -179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.656 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.1 OUTLIER -121.28 153.11 38.1 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.51 179.364 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.424 ' HA ' ' HE ' ' A' ' 49' ' ' ARG . 10.5 m -146.87 -159.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.242 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -106.98 153.65 22.26 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 121.231 0.539 . . . . 0.0 111.129 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.407 ' HG3' ' H ' ' A' ' 78' ' ' GLN . 2.7 pt-20 -33.41 -53.71 0.41 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.443 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.407 ' H ' ' HG3' ' A' ' 77' ' ' GLU . 0.6 OUTLIER -65.58 -44.67 85.96 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.502 -0.479 . . . . 0.0 111.267 -178.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 82' ' ' PHE . 0.7 OUTLIER -52.66 -63.92 0.98 Allowed 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.39 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.464 ' CE1' HD23 ' A' ' 84' ' ' LEU . 6.7 t80 -46.33 -38.63 9.02 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.75 -28.93 70.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.544 -179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' N ' ' O ' ' A' ' 79' ' ' ASP . 81.0 t80 -73.77 -27.33 61.1 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 179.435 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 83' ' ' ASN . 1.1 t30 -94.37 23.64 5.04 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.66 179.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.464 HD23 ' CE1' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -92.57 -72.57 0.59 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.634 179.471 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 86' ' ' LYS . . . -48.53 -24.08 1.19 Allowed 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.958 -179.55 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 85' ' ' ALA . 25.9 tptp -39.43 -42.43 1.09 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.969 0.414 . . . . 0.0 110.368 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.4 mp -42.33 114.13 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.388 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -78.57 -130.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.454 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -71.42 -3.9 23.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.917 0.389 . . . . 0.0 110.477 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.447 ' ND2' ' N ' ' A' ' 91' ' ' SER . 1.2 t30 -66.8 157.65 32.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.588 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.447 ' N ' ' ND2' ' A' ' 90' ' ' ASN . 13.3 m -153.66 159.85 42.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.471 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.437 ' O ' ' O ' ' A' ' 93' ' ' ASP . 8.5 mmm180 -135.89 2.11 2.83 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.511 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.52 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 0.7 OUTLIER 50.96 103.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.56 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.8 t -96.19 6.39 48.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.573 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 95' ' ' LEU . 8.0 mp 45.96 -169.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.394 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -160.65 141.53 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.546 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.457 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 0.3 OUTLIER -139.89 -119.84 0.12 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.547 -179.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 54.76 34.43 21.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.513 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 31.6 p -175.31 51.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.649 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.816 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.944 179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.5 mtp . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 6' ' ' ALA . 38.9 mm-40 -89.83 -18.96 25.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.626 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.572 ' O ' ' N ' ' A' ' 6' ' ' ALA . 37.0 tt0 -43.14 -79.66 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.994 -179.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -47.73 -44.48 27.95 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 179.618 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -55.01 -28.63 53.56 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 178.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.725 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -76.47 -57.2 4.0 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.865 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.465 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 7.8 t80 -63.33 -55.78 21.77 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -48.4 -54.56 13.6 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.705 179.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.7 t -55.33 -28.16 51.89 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.006 -0.678 . . . . 0.0 109.502 -179.396 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.495 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -63.09 -39.84 95.89 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 178.834 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.587 ' O ' ' N ' ' A' ' 14' ' ' HIS . 8.1 mt -60.04 -53.44 57.72 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.08 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.6 tttp -34.51 -57.61 0.51 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.279 -0.569 . . . . 0.0 110.107 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.0 tptp -54.74 -43.13 72.42 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.587 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.5 t60 -59.75 -58.58 7.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.006 179.303 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -92.32 30.36 1.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.4 -0.818 . . . . 0.0 111.09 -178.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -57.8 -36.81 72.73 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.504 -0.478 . . . . 0.0 109.815 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.484 ' NZ ' ' CB ' ' A' ' 17' ' ' LYS . 8.1 mtpm? -81.43 -43.61 18.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.182 179.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.3 p -78.24 32.39 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.212 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.039 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.2 tt -44.09 -80.9 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.419 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 1.039 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.38 -61.63 0.08 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 88.0 t80 -45.07 -46.83 11.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.868 0.366 . . . . 0.0 110.033 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.623 ' N ' ' O ' ' A' ' 19' ' ' ILE . 15.6 t-80 -68.56 -25.55 64.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.478 179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' GLY . 9.4 t70 -90.56 -13.8 33.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.228 0.537 . . . . 0.0 109.838 179.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.508 ' N ' ' O ' ' A' ' 20' ' ' GLY . 0.1 OUTLIER -89.62 -49.23 6.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.259 -179.059 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' O ' ' N ' ' A' ' 27' ' ' LYS . 68.7 m-85 -118.05 -75.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 119.312 -0.955 . . . . 0.0 112.348 -178.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 97.6 mt -39.9 -19.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.345 -178.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.585 ' N ' ' O ' ' A' ' 25' ' ' TYR . 2.8 tmtm? -63.6 -31.45 72.62 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.289 179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -91.56 57.42 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.755 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.49 ' CD1' ' O ' ' A' ' 42' ' ' LEU . 5.7 mm -128.72 144.47 37.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.464 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -163.79 21.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.578 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.2 tpp180 -141.33 121.39 13.73 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 121.075 0.464 . . . . 0.0 110.713 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.451 ' O ' ' CD2' ' A' ' 32' ' ' PHE . 29.2 p90 -163.74 140.56 6.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.353 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 24.4 m -148.3 161.69 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.204 0 C-N-CA 120.327 -0.549 . . . . 0.0 111.713 -179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -138.25 73.72 1.45 Allowed 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.88 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.46 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 63.2 mttm -119.26 81.27 1.68 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.46 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 8.1 m-20 161.53 -89.13 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.774 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.423 ' C ' HG23 ' A' ' 38' ' ' VAL . 19.7 p-10 -166.37 22.62 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.352 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.687 HG12 ' N ' ' A' ' 39' ' ' LEU . 41.6 t -154.61 171.82 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.08 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.687 ' N ' HG12 ' A' ' 38' ' ' VAL . 3.3 mp -119.54 122.76 42.35 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -116.96 139.77 50.26 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-O 120.978 0.418 . . . . 0.0 109.949 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.462 HD12 ' CE2' ' A' ' 74' ' ' PHE . 54.1 mt -133.31 131.79 58.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.606 -179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 42' ' ' LEU . 2.6 mm? -63.22 129.75 41.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.157 -179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 27.9 tp -152.59 99.9 2.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.043 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -80.4 -43.32 21.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.757 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 29.5 m120 -45.77 111.72 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.602 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.8 tp10 -61.44 -47.05 87.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.139 -179.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -58.49 -65.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.875 0.369 . . . . 0.0 110.567 -179.1 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -45.09 -32.62 1.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.672 -179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.531 ' O ' ' ND2' ' A' ' 53' ' ' ASN . 7.9 ttp180 -78.08 -41.04 36.56 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.08 -179.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -53.85 -35.81 61.9 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.326 0.584 . . . . 0.0 110.624 -179.248 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.32 -47.19 7.91 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.475 -178.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.8 mt -52.45 -51.91 56.84 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.931 -179.011 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.531 ' ND2' ' O ' ' A' ' 49' ' ' ARG . 0.1 OUTLIER -74.12 -18.98 60.73 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.098 -179.567 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.496 ' N ' ' ND2' ' A' ' 53' ' ' ASN . 23.8 t70 -69.51 -21.66 63.65 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.487 HD21 ' CD ' ' A' ' 57' ' ' GLU . 11.5 t-20 -158.5 72.04 0.59 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.752 -1.113 . . . . 0.0 110.026 179.745 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.567 ' C ' ' H ' ' A' ' 58' ' ' ILE . 23.7 m -92.14 50.04 1.6 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.157 -179.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.487 ' CD ' HD21 ' A' ' 55' ' ' ASN . 26.5 mt-10 -70.06 34.37 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.911 0.386 . . . . 0.0 110.315 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.567 ' H ' ' C ' ' A' ' 56' ' ' SER . 31.6 mm -70.46 -0.55 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.162 -179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.425 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.2 tt -86.43 -3.62 8.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.389 0.614 . . . . 0.0 109.549 179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 5.6 m80 -78.76 -15.32 58.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.114 -0.948 . . . . 0.0 110.967 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.868 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -127.66 -42.49 1.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.019 0.437 . . . . 0.0 110.017 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.607 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -56.32 -24.31 42.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.652 179.433 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -62.84 32.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.432 -178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.607 ' H ' ' C ' ' A' ' 62' ' ' ALA . 5.9 m -129.49 -64.99 0.87 Allowed 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.725 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -50.27 -38.81 42.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.9 0.381 . . . . 0.0 110.014 179.727 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.57 ' C ' ' H ' ' A' ' 68' ' ' GLY . 40.3 m-85 -120.89 101.79 7.93 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.062 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -65.25 32.57 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.71 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -157.16 41.92 0.53 Allowed Glycine 0 CA--C 1.527 0.793 0 C-N-CA 120.833 -0.699 . . . . 0.0 111.942 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -78.32 110.76 14.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 111.182 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.434 ' O ' ' OG ' ' A' ' 71' ' ' SER . 3.9 mmmm -82.2 -35.57 28.16 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 4.2 m 178.61 -176.12 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.197 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.419 HG21 ' HB ' ' A' ' 58' ' ' ILE . 18.5 t -138.77 134.38 42.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.864 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.426 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 63.0 t30 -136.32 157.33 47.06 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.408 0.623 . . . . 0.0 111.978 -178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 3.2 m-85 -137.63 131.49 31.61 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.107 -0.951 . . . . 0.0 109.057 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 m -147.07 -174.22 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 C-N-CA 120.338 -0.545 . . . . 0.0 111.582 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.429 ' ND2' ' CG ' ' A' ' 79' ' ' ASP . 0.5 OUTLIER -89.99 166.52 13.41 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.206 -179.651 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 77' ' ' GLU . 17.9 mp0 -38.93 -72.48 0.06 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.944 -179.236 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.482 ' O ' ' N ' ' A' ' 82' ' ' PHE . 15.0 tt0 -47.82 -52.84 17.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.048 -178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 82' ' ' PHE . 29.1 m-20 -47.89 -68.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.454 ' CD2' HD21 ' A' ' 42' ' ' LEU . 3.8 t80 -47.51 -38.32 13.74 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 179.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -77.58 -11.65 59.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.263 -179.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' N ' ' O ' ' A' ' 78' ' ' GLN . 10.7 t80 -78.02 -41.33 36.12 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.782 -0.451 . . . . 0.0 109.782 179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -55.84 -25.42 41.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.279 179.402 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.586 ' CD2' ' N ' ' A' ' 84' ' ' LEU . 1.7 mm? -85.85 -13.63 47.4 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.689 -179.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.36 43.46 3.07 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.684 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 37.9 pttt -147.68 9.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.957 0.408 . . . . 0.0 110.067 178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -80.46 5.92 13.77 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.387 -179.902 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.513 ' N ' HD12 ' A' ' 87' ' ' LEU . 31.9 tt0 -92.76 64.86 4.15 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.452 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -149.98 75.37 1.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 67.53 -139.88 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.489 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 52.1 p -161.54 124.87 3.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.584 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 26.4 ptt85 -62.62 161.75 11.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.529 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 29.4 m-20 -156.39 -141.94 0.1 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.486 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.412 ' H ' HG22 ' A' ' 94' ' ' THR . 0.9 OUTLIER -55.21 139.03 43.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.501 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 95' ' ' LEU . 7.4 mp -71.75 -105.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.47 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 54.0 t80 -155.4 -8.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.643 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -173.56 -84.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.585 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -50.17 142.06 10.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.588 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.8 t -171.0 -39.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.479 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.704 0 CA-C-O 117.979 -1.456 . . . . 0.0 110.952 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.52 ' O ' ' CE1' ' A' ' 4' ' ' PHE . 48.9 mmm . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.61 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 2.2 pm0 -87.3 -35.7 18.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.425 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.546 ' CD ' ' H ' ' A' ' 3' ' ' GLN . 22.7 mp0 -42.5 -76.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.048 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.536 ' CD2' ' N ' ' A' ' 5' ' ' ASN . 2.6 p90 -45.07 -44.96 10.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.005 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.536 ' N ' ' CD2' ' A' ' 4' ' ' PHE . 37.9 t-20 -58.87 -31.45 68.57 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.312 -0.555 . . . . 0.0 109.748 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.589 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -76.65 -59.56 2.72 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.75 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.443 ' CE2' HD11 ' A' ' 11' ' ' LEU . 0.0 OUTLIER -64.62 -46.93 80.49 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.743 -0.383 . . . . 0.0 110.136 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.483 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 34.1 ttpt -56.48 -53.74 53.96 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 121.018 0.437 . . . . 0.0 110.873 179.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 66.8 m -57.52 -23.58 51.05 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.97 -36.28 81.86 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.433 178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.567 ' O ' ' N ' ' A' ' 14' ' ' HIS . 10.2 mt -63.95 -45.34 89.58 Favored 'General case' 0 CA--C 1.522 -0.103 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.901 179.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' C ' ' O ' ' A' ' 11' ' ' LEU . 35.0 mtmt -37.41 -55.52 1.05 Allowed 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 120.327 -0.549 . . . . 0.0 109.904 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -52.52 -42.68 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 178.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.567 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.2 t-80 -64.43 -65.51 0.67 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.972 179.53 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.01 25.55 0.68 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.021 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.9 tp10 -45.92 -44.8 14.99 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.292 179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -78.52 -40.77 34.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.231 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.75 44.58 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.265 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.031 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.7 tt -60.29 -74.21 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.717 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 1.031 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -27.07 -58.73 0.09 OUTLIER Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 -179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.9 t80 -40.9 -46.88 2.86 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.979 0.418 . . . . 0.0 109.975 179.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.596 ' N ' ' O ' ' A' ' 19' ' ' ILE . 49.5 t-80 -63.11 -56.92 12.72 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.162 179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -57.77 -4.01 0.26 Allowed 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.258 -0.577 . . . . 0.0 109.92 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.53 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.1 OUTLIER -93.94 -51.67 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.926 -179.416 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.622 ' CE2' ' ND2' ' A' ' 45' ' ' ASN . 61.6 m-85 -129.85 -62.92 0.94 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 120.043 -0.663 . . . . 0.0 112.247 -178.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.405 ' C ' ' O ' ' A' ' 25' ' ' TYR . 14.7 mm -37.86 -22.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.728 0.299 . . . . 0.0 111.074 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' O ' ' N ' ' A' ' 29' ' ' ILE . 39.0 tttt -79.84 -147.18 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.365 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' O ' ' O ' ' A' ' 29' ' ' ILE . 19.1 t70 30.63 -84.96 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.746 179.43 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.599 ' N ' ' O ' ' A' ' 27' ' ' LYS . 97.4 mt -37.08 162.45 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 -179.411 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.593 ' N ' HG22 ' A' ' 29' ' ' ILE . 20.5 p30 -168.93 66.55 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.962 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.8 tpt85 -134.11 116.63 15.66 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 10.3 p90 -154.01 149.41 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.041 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.9 m -149.19 144.07 18.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.074 0.464 . . . . 0.0 110.95 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.452 ' CD2' ' C ' ' A' ' 34' ' ' PHE . 6.8 p90 -134.48 145.19 48.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.546 -0.752 . . . . 0.0 109.609 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.469 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 20.8 tptt -117.61 -81.17 0.62 Allowed 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.732 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.469 ' CG ' ' O ' ' A' ' 35' ' ' LYS . 17.7 m120 -164.78 32.6 0.07 Allowed 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.601 -0.439 . . . . 0.0 111.362 -179.722 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.489 ' O ' ' CG ' ' A' ' 70' ' ' LYS . 20.8 p-10 -171.94 -30.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 119.872 -0.731 . . . . 0.0 111.983 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.625 ' C ' HD12 ' A' ' 39' ' ' LEU . 46.7 t -147.61 162.58 7.2 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 C-N-CA 120.386 -0.526 . . . . 0.0 111.842 -179.177 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.625 HD12 ' C ' ' A' ' 38' ' ' VAL . 7.3 mp -128.99 130.36 46.57 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.048 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.51 HD21 HG22 ' A' ' 75' ' ' VAL . 0.3 OUTLIER -117.89 142.44 47.33 Favored 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 109.867 -0.419 . . . . 0.0 109.867 -179.465 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 80.6 mt -136.42 133.75 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.197 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.656 -179.509 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.539 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 1.9 mm? -62.4 136.27 57.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.185 0.517 . . . . 0.0 111.064 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 75' ' ' VAL . 15.3 tp -163.91 97.57 0.84 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.277 179.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.496 ' CD ' ' N ' ' A' ' 45' ' ' ASN . 2.8 pp20? -84.45 -37.07 21.84 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.937 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.622 ' ND2' ' CE2' ' A' ' 25' ' ' TYR . 10.5 m120 -44.99 113.38 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.921 0.391 . . . . 0.0 110.512 -179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -59.81 -43.42 94.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.524 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.541 ' O ' ' N ' ' A' ' 50' ' ' ASN . 4.7 m-85 -64.91 -68.62 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.928 0.394 . . . . 0.0 110.322 -179.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.44 ' O ' HD12 ' A' ' 52' ' ' LEU . . . -38.83 -32.9 0.09 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.897 -179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -80.54 -35.76 34.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.79 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 47' ' ' PHE . 23.4 t-20 -53.58 -54.93 30.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.332 0.587 . . . . 0.0 110.772 -179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.16 -47.15 46.23 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 115.048 -0.978 . . . . 0.0 112.344 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.44 HD12 ' O ' ' A' ' 48' ' ' ALA . 28.9 mt -51.97 -50.99 60.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.365 -178.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 53' ' ' ASN . 2.1 t-20 -75.95 -17.71 59.63 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.626 -0.43 . . . . 0.0 111.276 -179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 50' ' ' ASN . 53.1 m-20 -69.82 -24.67 63.5 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.467 HD21 ' CD ' ' A' ' 57' ' ' GLU . 4.9 t30 -155.99 69.73 0.67 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.069 179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.495 ' C ' ' H ' ' A' ' 58' ' ' ILE . 15.6 p -85.59 47.33 1.42 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.04 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.467 ' CD ' HD21 ' A' ' 55' ' ' ASN . 21.8 pt-20 -74.1 31.71 0.08 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.506 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.585 ' O ' HD12 ' A' ' 61' ' ' LEU . 68.0 mt -64.98 -17.19 21.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.916 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.4 tt -64.94 -12.19 12.73 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 121.156 0.503 . . . . 0.0 109.976 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.0 m80 -65.81 -25.37 67.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.137 179.09 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -125.19 -41.86 2.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.893 0.378 . . . . 0.0 110.489 -179.162 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.413 ' C ' ' N ' ' A' ' 64' ' ' SER . . . -46.95 -32.98 4.23 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.711 179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -52.3 -13.43 0.34 Allowed 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.608 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.655 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 0.5 OUTLIER -91.29 94.03 9.34 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.984 -0.553 . . . . 0.0 109.708 179.342 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.655 ' HB2' ' O ' ' A' ' 64' ' ' SER . 0.4 OUTLIER 148.48 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.881 0.738 . . . . 0.0 109.702 179.91 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.414 ' CD2' ' N ' ' A' ' 66' ' ' TYR . 10.2 m-85 -117.9 -175.45 2.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.197 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 53.9 mm-40 -85.46 96.77 9.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.898 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 69' ' ' ILE . . . 37.93 73.17 0.15 Allowed Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 68' ' ' GLY . 4.3 mm -37.68 141.49 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.764 0.316 . . . . 0.0 110.787 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 37' ' ' ASN . 47.3 mmtt -82.59 -38.47 23.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.062 179.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.567 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 6.4 t 177.67 -175.23 0.15 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.533 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.567 ' N ' ' OG ' ' A' ' 71' ' ' SER . 5.1 t -146.06 141.74 21.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.783 179.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.535 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 21.0 t-20 -147.71 161.27 41.53 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.234 0.54 . . . . 0.0 111.594 -178.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.612 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -143.66 145.67 32.64 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.805 179.762 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.51 HG22 HD21 ' A' ' 40' ' ' LEU . 18.9 m -144.76 -149.65 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.164 -179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.595 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.0 t30 -119.22 173.81 6.72 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 121.614 0.721 . . . . 0.0 111.023 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.595 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 72.0 mt-10 -39.23 -74.53 0.04 OUTLIER 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 114.556 -1.202 . . . . 0.0 111.859 -178.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -51.06 -53.44 33.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.212 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.438 ' HB2' ' H ' ' A' ' 76' ' ' ASN . 40.7 m-20 -49.34 -64.1 0.91 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.041 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -51.04 -37.54 45.98 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 20.9 t80 -69.88 -24.26 63.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.039 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -70.87 -36.0 72.61 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.939 0.4 . . . . 0.0 109.946 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -73.74 -43.37 59.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.566 179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 38.5 tp -72.24 -18.04 61.85 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.026 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -93.33 -18.88 21.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.256 -179.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' A' ' 87' ' ' LEU . 34.3 ttpt -62.2 -42.83 99.65 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.565 -179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.562 ' O ' HD12 ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.55 162.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.949 0.404 . . . . 0.0 111.029 -179.484 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -139.62 -167.31 2.24 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.296 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 18.2 tp10 -66.26 -41.28 90.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.287 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.9 p30 -100.49 147.84 25.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.396 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 13.3 m -128.32 51.76 1.96 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.47 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.532 ' HE ' ' CA ' ' A' ' 92' ' ' ARG . 0.0 OUTLIER 53.25 85.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.446 -179.939 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 54.4 p30 -163.68 -129.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.509 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.464 HG23 HD12 ' A' ' 95' ' ' LEU . 13.8 t -107.39 1.63 23.8 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.575 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.464 HD12 HG23 ' A' ' 94' ' ' THR . 9.6 mp -85.33 14.72 5.01 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.403 179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 15.0 t80 -77.63 98.22 5.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.47 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -133.4 85.96 2.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.573 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -105.64 -35.71 7.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.514 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 76.6 p -169.02 135.45 1.74 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.794 0 CA-C-O 117.982 -1.455 . . . . 0.0 110.866 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 6' ' ' ALA . 35.5 mt-10 -82.63 -18.29 41.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.652 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.465 ' CD ' ' N ' ' A' ' 4' ' ' PHE . 13.4 tm0? -50.47 -66.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.805 0.336 . . . . 0.0 110.276 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.465 ' N ' ' CD ' ' A' ' 3' ' ' GLN . 0.1 OUTLIER -45.11 -58.26 3.34 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.343 0.592 . . . . 0.0 109.464 178.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 2.1 t30 -58.87 -23.7 61.21 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.947 -1.024 . . . . 0.0 111.204 -179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -81.99 -60.34 2.26 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.824 -179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.433 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.1 OUTLIER -56.57 -49.25 75.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 0.0 109.914 179.531 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.433 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 27.4 ttpt -59.71 -52.86 63.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.674 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 58.0 m -53.84 -24.34 15.37 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.154 -0.618 . . . . 0.0 110.028 -178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.58 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -65.27 -37.27 86.66 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 178.763 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' A' ' 14' ' ' HIS . 17.4 mt -65.67 -47.92 73.83 Favored 'General case' 0 C--O 1.226 -0.155 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.388 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 11' ' ' LEU . 22.1 mttm -37.61 -54.95 1.15 Allowed 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 120.257 -0.577 . . . . 0.0 109.482 178.656 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -55.93 -41.41 74.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.119 0.485 . . . . 0.0 109.874 178.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.553 ' N ' ' O ' ' A' ' 11' ' ' LEU . 16.0 t-80 -69.08 -66.82 0.53 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.187 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' N ' ' O ' ' A' ' 11' ' ' LEU . 6.5 m-85 -74.94 19.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.137 -179.546 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.41 ' H ' ' C ' ' A' ' 14' ' ' HIS . 5.0 tm-20 -49.19 -46.01 44.97 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.356 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 18.2 mtmm -89.77 14.85 10.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.464 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.7 m -139.42 54.87 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.585 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.829 HG23 ' H ' ' A' ' 20' ' ' GLY . 13.9 tt -73.36 -63.44 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.458 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.829 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -26.09 -62.5 0.07 OUTLIER Glycine 0 CA--C 1.523 0.588 0 N-CA-C 111.063 -0.815 . . . . 0.0 111.063 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.465 ' C ' ' O ' ' A' ' 20' ' ' GLY . 56.5 t80 -35.87 -49.74 0.63 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.229 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.591 ' N ' ' O ' ' A' ' 19' ' ' ILE . 63.8 t-80 -60.48 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.062 178.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -56.07 -6.72 0.27 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.921 0.391 . . . . 0.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.486 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.2 OUTLIER -88.86 -77.22 0.38 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.457 -179.683 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.505 ' O ' ' N ' ' A' ' 27' ' ' LYS . 5.9 m-85 -102.41 -75.56 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.614 -0.434 . . . . 0.0 111.779 -178.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.583 ' CD1' ' H ' ' A' ' 26' ' ' ILE . 1.7 mp -36.73 -29.23 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.535 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.565 ' C ' ' O ' ' A' ' 26' ' ' ILE . 1.8 ttmp? 19.16 -125.24 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.343 179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.419 ' OD2' ' O ' ' A' ' 28' ' ' ASP . 48.3 p30 -122.69 80.86 1.79 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.82 0.343 . . . . 0.0 110.965 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -92.27 -161.25 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.692 ' ND2' HH21 ' A' ' 31' ' ' ARG . 0.6 OUTLIER -169.84 40.47 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.083 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.692 HH21 ' ND2' ' A' ' 30' ' ' ASN . 5.5 tpp85 -133.16 100.55 4.9 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.318 0.58 . . . . 0.0 110.678 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.6 p90 -146.39 151.99 38.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.478 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 33' ' ' VAL . 32.9 m -134.17 119.04 29.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 121.325 0.583 . . . . 0.0 111.849 -179.501 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -121.63 126.2 48.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.556 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.427 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER -120.03 -58.06 1.9 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.194 179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.427 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 2.5 t-20 164.63 -23.0 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.321 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.482 HD22 ' C ' ' A' ' 37' ' ' ASN . 0.1 OUTLIER -94.7 -43.8 8.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.261 -179.323 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.597 HG12 ' N ' ' A' ' 39' ' ' LEU . 36.0 t -151.26 164.68 2.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.19 0.519 . . . . 0.0 111.527 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.597 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.2 mp -127.12 125.98 42.16 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.572 179.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.771 HD23 ' N ' ' A' ' 41' ' ' ILE . 5.1 tt -119.73 148.06 43.86 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.836 0.35 . . . . 0.0 110.319 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.771 ' N ' HD23 ' A' ' 40' ' ' LEU . 76.7 mt -140.55 136.87 36.15 Favored 'Isoleucine or valine' 0 C--O 1.235 0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.084 -179.438 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.478 HD22 ' N ' ' A' ' 42' ' ' LEU . 3.7 mm? -60.4 139.98 57.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.957 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 75' ' ' VAL . 27.5 tp -160.45 115.93 2.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.56 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 0.3 OUTLIER -87.46 -70.45 0.62 Allowed 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.688 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 44' ' ' GLU . 5.5 m-80 -32.59 93.55 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.612 -178.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 44' ' ' GLU . 5.0 pt-20 -42.77 -31.86 0.53 Allowed 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.072 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' O ' ' N ' ' A' ' 50' ' ' ASN . 81.7 m-85 -66.82 -65.73 0.64 Allowed 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.677 -0.409 . . . . 0.0 109.925 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -39.9 -31.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.322 -179.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.24 -32.12 43.74 Favored 'General case' 0 C--N 1.332 -0.172 0 C-N-CA 120.659 -0.416 . . . . 0.0 110.313 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.5 OUTLIER -58.52 -55.3 36.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.628 0.728 . . . . 0.0 109.984 -179.816 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.05 -53.2 41.38 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 114.491 -1.231 . . . . 0.0 111.705 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 52' ' ' LEU . 20.8 mt -48.64 -51.44 28.25 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.65 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -72.49 -12.81 61.24 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.631 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 17.6 t0 -72.0 -30.09 64.89 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -151.32 56.37 0.88 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.695 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.542 ' C ' ' H ' ' A' ' 58' ' ' ILE . 12.1 p -73.21 46.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.748 -179.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.587 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.9 OUTLIER -70.44 18.48 0.05 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.249 179.536 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.542 ' H ' ' C ' ' A' ' 56' ' ' SER . 29.9 mm -49.55 -4.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.247 -179.25 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.578 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.5 tt -88.73 -26.72 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.672 ' CE1' HD11 ' A' ' 61' ' ' LEU . 23.0 p-80 -59.3 -10.62 3.16 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.422 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.78 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -121.77 -48.2 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 177.515 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.58 6.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.142 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.472 ' H ' ' C ' ' A' ' 61' ' ' LEU . 10.0 pt-20 -85.19 -4.77 59.27 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.783 -0.367 . . . . 0.0 110.396 179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 34.1 m -91.3 -66.81 0.9 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.636 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 55.2 tp -50.46 -24.49 3.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.259 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 83.1 m-85 -117.53 149.14 41.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.415 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -45.42 -62.52 1.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.53 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -169.26 82.58 0.09 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.503 HG22 ' H ' ' A' ' 71' ' ' SER . 4.5 mm -51.52 153.27 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.779 0.323 . . . . 0.0 110.419 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.445 ' O ' ' OG ' ' A' ' 71' ' ' SER . 11.6 tptm -87.84 -36.15 17.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.17 179.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.503 ' H ' HG22 ' A' ' 69' ' ' ILE . 3.5 m 176.58 -174.38 0.11 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.604 179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.5 t -147.23 144.94 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.51 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.526 ' ND2' ' H ' ' A' ' 74' ' ' PHE . 5.9 t-20 -142.53 160.18 40.78 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.41 0.624 . . . . 0.0 111.748 -178.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.526 ' H ' ' ND2' ' A' ' 73' ' ' ASN . 47.0 m-85 -138.83 134.59 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.298 179.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.627 HG22 HD21 ' A' ' 40' ' ' LEU . 11.4 m -148.09 -164.54 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 C-N-CA 120.314 -0.554 . . . . 0.0 111.317 -179.303 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.529 ' N ' ' OD1' ' A' ' 76' ' ' ASN . 0.5 OUTLIER -102.87 169.26 8.7 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 121.215 0.531 . . . . 0.0 111.239 -179.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -38.25 -73.04 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.945 -179.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.408 ' C ' ' NE2' ' A' ' 78' ' ' GLN . 0.3 OUTLIER -47.15 -52.92 14.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.801 -178.708 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.529 ' OD2' ' ND2' ' A' ' 76' ' ' ASN . 0.9 OUTLIER -49.9 -62.36 1.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.282 -179.798 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.523 ' CZ ' HD23 ' A' ' 84' ' ' LEU . 2.1 t80 -42.01 -42.56 2.89 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.496 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.6 OUTLIER -57.42 -65.97 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.939 179.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' PHE . 35.1 t80 -35.75 -33.41 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.104 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 81' ' ' PHE . 17.7 t-20 -73.32 -50.63 21.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.756 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.739 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.9 OUTLIER -81.46 -15.48 54.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.076 0.465 . . . . 0.0 110.593 -179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -78.52 -24.05 45.95 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.868 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 8.0 tptt -70.29 -74.36 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.578 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 87' ' ' LEU . 11.3 mp -75.8 152.24 37.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.432 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -145.43 159.33 43.23 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.536 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.594 ' CD ' ' H ' ' A' ' 89' ' ' GLU . 2.9 mp0 -55.25 -33.22 62.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.559 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.582 HD22 ' H ' ' A' ' 92' ' ' ARG . 3.4 p-10 -167.86 -168.03 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.636 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 74.2 m -142.95 31.41 1.41 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.56 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.582 ' H ' HD22 ' A' ' 90' ' ' ASN . 32.8 mtm105 -98.55 83.0 2.93 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.558 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' A' ' 94' ' ' THR . 27.5 t0 61.22 144.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.548 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.485 ' N ' ' OD1' ' A' ' 93' ' ' ASP . 9.6 t -98.92 10.67 40.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.513 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.645 HD12 ' N ' ' A' ' 95' ' ' LEU . 5.7 mp 51.12 -136.87 1.23 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.39 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -172.04 71.96 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.757 0.313 . . . . 0.0 110.517 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 37.3 tt0 -156.94 140.85 16.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.53 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.43 51.85 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.668 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 6.0 t -178.89 -76.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.578 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.757 0 CA-C-O 117.945 -1.475 . . . . 0.0 110.917 179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.409 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 6' ' ' ALA . 16.5 mt-10 -69.73 2.39 3.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.49 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.559 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.4 tm0? -42.11 -82.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.472 -179.732 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.522 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 12.2 p90 -47.6 -41.02 20.83 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.443 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 0.4 OUTLIER -58.89 -30.83 68.08 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 178.427 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.559 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -71.25 -55.09 8.79 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.032 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -61.62 -40.35 94.52 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.412 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 7' ' ' PHE . 22.4 ttpp -60.61 -51.1 70.84 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.786 179.248 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.0 p -57.51 -25.24 59.53 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 119.993 -0.683 . . . . 0.0 109.342 -179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.414 HD22 ' HB3' ' A' ' 61' ' ' LEU . 0.5 OUTLIER -64.32 -39.47 93.97 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 178.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.579 ' O ' ' N ' ' A' ' 14' ' ' HIS . 5.0 mt -61.94 -44.54 96.55 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.794 179.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.476 ' C ' ' O ' ' A' ' 11' ' ' LEU . 2.1 tttp -36.32 -57.8 0.72 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 mtmt -50.99 -39.27 55.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.923 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.738 ' ND1' HD21 ' A' ' 61' ' ' LEU . 3.7 t60 -70.58 -61.79 1.64 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.268 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -84.78 26.13 0.86 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.931 -179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 12' ' ' LYS . 11.6 tm-20 -56.07 -32.48 64.16 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.325 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -95.7 5.59 51.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.5 m -131.34 66.8 1.53 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.58 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.834 HG23 ' H ' ' A' ' 20' ' ' GLY . 5.3 tp -77.44 -64.81 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.834 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -28.2 -62.77 0.11 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' GLY . 52.1 t80 -38.47 -50.13 1.52 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.113 0.482 . . . . 0.0 109.846 179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.506 ' N ' ' O ' ' A' ' 19' ' ' ILE . 32.8 t-80 -62.94 -59.33 4.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.981 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -57.13 -5.09 0.24 Allowed 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.086 179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.501 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.3 OUTLIER -94.45 -53.58 3.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.529 -179.537 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.594 ' O ' ' N ' ' A' ' 27' ' ' LYS . 50.8 m-85 -129.63 -66.48 0.8 Allowed 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 120.155 -0.618 . . . . 0.0 112.13 -179.234 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 mm -41.12 -16.5 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 121.101 -0.24 . . . . 0.0 111.344 -178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' A' ' 25' ' ' TYR . 48.3 tttm -84.92 -38.03 19.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.834 0.35 . . . . 0.0 110.671 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.499 ' N ' ' O ' ' A' ' 25' ' ' TYR . 24.5 t70 -89.19 59.76 5.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.001 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.506 HG22 ' N ' ' A' ' 30' ' ' ASN . 63.6 mt -142.21 160.61 19.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.091 179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.506 ' N ' HG22 ' A' ' 29' ' ' ILE . 43.0 p-10 -167.0 29.22 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.829 -179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.1 tpp85 -138.09 111.99 8.38 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.261 0.553 . . . . 0.0 110.826 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.52 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 1.9 p90 -145.74 160.86 41.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.238 -0.892 . . . . 0.0 109.395 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 33.6 m -149.7 125.59 2.04 Favored 'Isoleucine or valine' 0 C--O 1.235 0.312 0 CA-C-O 121.188 0.518 . . . . 0.0 111.866 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.674 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 3.3 t80 -126.69 54.02 1.63 Allowed 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.36 -0.837 . . . . 0.0 109.482 179.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.453 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 17.2 tptm -121.56 84.51 2.25 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.028 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.453 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 1.8 p30 160.72 -102.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.075 179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -153.85 17.45 0.51 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.951 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG12 ' N ' ' A' ' 39' ' ' LEU . 24.2 t -149.33 162.7 4.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.18 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.5 mp -119.78 119.87 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.752 179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.64 146.22 44.84 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 120.975 0.417 . . . . 0.0 110.275 -179.533 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 45.7 mt -141.31 137.16 33.18 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.179 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.994 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.571 HD11 ' HA ' ' A' ' 77' ' ' GLU . 0.2 OUTLIER -60.87 134.73 57.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.462 -179.453 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.6 tp -161.81 103.55 1.18 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.181 178.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.563 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 2.4 mp0 -90.38 -42.97 10.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.07 -179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.533 ' OD1' ' CE2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -37.7 117.55 0.58 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.992 0.425 . . . . 0.0 110.861 -179.556 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 66.2 tt0 -61.41 -42.68 99.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.761 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.543 ' O ' ' N ' ' A' ' 50' ' ' ASN . 52.8 t80 -67.58 -68.29 0.39 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.302 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -38.16 -32.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.803 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.0 ttt-85 -81.5 -36.37 29.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.937 -179.404 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.0 t-20 -53.91 -55.88 22.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.359 0.599 . . . . 0.0 110.727 -179.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -71.24 -47.61 56.13 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 114.937 -1.029 . . . . 0.0 112.281 -179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HA ' HD23 ' A' ' 52' ' ' LEU . 16.1 mt -48.87 -56.44 8.76 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.663 -0.415 . . . . 0.0 110.973 -178.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -70.76 -12.33 61.48 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.258 -0.577 . . . . 0.0 110.822 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -71.01 -29.35 65.26 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.217 -0.661 . . . . 0.0 109.217 178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 55' ' ' ASN . 24.9 p-10 -165.29 82.38 0.35 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.057 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.47 ' C ' ' H ' ' A' ' 58' ' ' ILE . 2.8 p -111.64 59.26 0.62 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' C ' ' H ' ' A' ' 59' ' ' ILE . 7.2 mp0 -72.29 41.53 0.09 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.192 179.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.47 ' H ' ' C ' ' A' ' 56' ' ' SER . 13.6 mm -63.16 -1.01 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.954 -179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.0 tt -88.33 -2.75 9.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.02 -20.53 55.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.685 178.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 1.015 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -119.91 -40.04 2.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.013 0.435 . . . . 0.0 110.078 179.742 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -64.13 -10.47 22.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.556 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.8 17.5 0.56 Allowed 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.332 -0.547 . . . . 0.0 110.654 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 66' ' ' TYR . 61.7 m -119.16 -69.67 0.84 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.538 -179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 58.2 tp -39.85 -25.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.952 -179.726 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 64' ' ' SER . 57.0 m-85 -119.29 -169.45 1.75 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.713 -179.66 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -76.33 -61.58 1.9 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.297 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -164.01 84.09 0.11 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.413 HD11 ' CD2' ' A' ' 66' ' ' TYR . 6.1 mm -53.29 142.64 6.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.465 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -86.29 -38.01 17.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.67 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.3 p -176.51 179.11 1.2 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.654 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.3 t -146.82 145.32 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.851 179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -166.94 160.52 14.37 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.68 0.753 . . . . 0.0 111.878 -179.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.734 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.42 145.27 47.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.112 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 21.6 m -148.48 -175.99 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.664 -0.414 . . . . 0.0 111.083 -179.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -78.02 159.49 28.73 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.571 ' HA ' HD11 ' A' ' 42' ' ' LEU . 12.2 tm-20 -37.84 -69.29 0.12 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.569 -179.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.461 ' N ' ' OE1' ' A' ' 77' ' ' GLU . 4.7 mt-30 -47.85 -53.36 15.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.84 0.352 . . . . 0.0 110.845 -179.157 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -51.37 -63.55 1.1 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.109 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.426 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.6 t80 -42.56 -50.76 5.3 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.204 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.753 ' O ' ' N ' ' A' ' 84' ' ' LEU . 0.4 OUTLIER -57.63 -62.98 1.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.582 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' A' ' 81' ' ' PHE . 23.0 t80 -27.91 -40.4 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.861 0.362 . . . . 0.0 110.673 -179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 81' ' ' PHE . 11.6 t-20 -63.73 -41.52 98.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.242 179.278 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.753 ' N ' ' O ' ' A' ' 81' ' ' PHE . 2.8 mm? -75.33 -11.46 60.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.047 179.766 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -79.69 -30.05 40.97 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 119.838 -0.745 . . . . 0.0 110.76 -179.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 87' ' ' LEU . 44.9 tttt -59.03 -22.4 60.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.785 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.47 ' C ' ' O ' ' A' ' 86' ' ' LYS . 0.5 OUTLIER -29.93 144.13 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.959 -179.63 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 60.95 66.84 0.86 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.691 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 49.2 tt0 -172.94 52.17 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.376 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' A' ' 91' ' ' SER . 53.1 t-20 -156.65 -116.48 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.484 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.517 ' N ' ' OD1' ' A' ' 90' ' ' ASN . 35.2 t -142.36 33.01 1.49 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.608 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.85 -42.61 4.43 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.264 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 33.7 p30 -77.88 152.07 33.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.508 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.9 t -111.67 0.09 16.22 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.639 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 8.9 mt -52.95 138.3 30.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.616 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -94.0 -156.67 0.51 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -119.97 9.38 11.22 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.673 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -164.57 -58.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.624 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.8 m -162.74 143.79 9.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.615 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.755 0 CA-C-O 118.06 -1.411 . . . . 0.0 110.932 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.451 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.3 pp20? -78.67 -15.53 58.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.406 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.525 ' O ' ' N ' ' A' ' 6' ' ' ALA . 1.8 tt0 -45.0 -75.4 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.022 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.427 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 23.5 m-85 -41.49 -51.5 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.024 0.44 . . . . 0.0 109.852 179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.533 HD22 ' C ' ' A' ' 5' ' ' ASN . 0.2 OUTLIER -59.21 -29.79 67.76 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.767 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 1.003 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -81.43 -60.34 2.3 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.128 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -48.77 80.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.197 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.427 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 32.2 ttpt -60.41 -51.13 70.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.062 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.478 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 49.4 m -52.76 -27.28 17.13 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 119.705 -0.798 . . . . 0.0 109.53 -179.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.462 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.5 OUTLIER -59.24 -50.17 75.02 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.989 -0.745 . . . . 0.0 108.989 178.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' O ' ' N ' ' A' ' 14' ' ' HIS . 9.3 mt -51.26 -45.72 62.15 Favored 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.18 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' C ' ' O ' ' A' ' 11' ' ' LEU . 16.2 tttm -38.41 -56.06 1.3 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.502 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -51.26 -40.26 58.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.976 178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.555 ' N ' ' O ' ' A' ' 11' ' ' LEU . 1.1 t60 -71.41 -63.23 1.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.691 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -79.85 24.22 0.4 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 -178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -54.76 -35.5 63.84 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.815 -0.354 . . . . 0.0 110.426 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -88.46 -30.36 19.47 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.622 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -78.55 44.99 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.537 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 1.052 HG23 ' H ' ' A' ' 20' ' ' GLY . 6.5 tt -53.82 -85.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 1.052 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -23.75 -62.8 0.04 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.248 -0.741 . . . . 0.0 111.248 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 45.3 t80 -42.39 -46.51 4.7 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.94 0.4 . . . . 0.0 110.027 179.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.667 ' N ' ' O ' ' A' ' 19' ' ' ILE . 51.9 t-80 -67.33 -24.56 65.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.758 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 t70 -90.13 -2.11 58.04 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -70.55 0.7 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.707 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.61 ' O ' ' N ' ' A' ' 27' ' ' LYS . 9.4 m-85 -110.77 -69.95 0.84 Allowed 'General case' 0 N--CA 1.466 0.373 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.588 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.7 mp -40.77 -15.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.346 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.61 ' N ' ' O ' ' A' ' 25' ' ' TYR . 74.5 tttt -6.34 -63.63 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.564 ' N ' ' O ' ' A' ' 26' ' ' ILE . 42.7 t0 -155.25 -30.03 0.1 Allowed 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.636 -0.425 . . . . 0.0 111.233 -179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.581 HG22 ' N ' ' A' ' 30' ' ' ASN . 29.6 mm 53.08 166.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 -179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.581 ' N ' HG22 ' A' ' 29' ' ' ILE . 89.0 m-20 -146.92 11.93 1.08 Allowed 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.219 -179.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.55 ' H ' HG22 ' A' ' 29' ' ' ILE . 2.5 tpm_? -136.81 95.6 3.16 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.208 0.528 . . . . 0.0 111.063 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -146.04 149.55 34.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.131 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 m -149.08 134.24 10.55 Favored 'Isoleucine or valine' 0 C--O 1.234 0.246 0 CA-C-O 121.195 0.522 . . . . 0.0 111.712 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.547 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 5.9 p90 -135.5 49.6 2.16 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.793 179.381 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.428 ' O ' ' OD1' ' A' ' 36' ' ' ASN . 11.8 ptmm? -127.25 43.19 3.17 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.607 -179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.428 ' OD1' ' O ' ' A' ' 35' ' ' LYS . 82.4 m-20 -157.27 40.03 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.099 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 7.7 m-80 56.29 8.48 0.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.346 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.425 HG12 ' N ' ' A' ' 39' ' ' LEU . 39.4 t -146.05 156.03 12.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.382 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.4 mp -119.8 115.23 23.45 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.954 0.407 . . . . 0.0 110.776 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD23 ' N ' ' A' ' 41' ' ' ILE . 5.1 tt -119.67 147.35 44.66 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.569 179.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.635 ' N ' HD23 ' A' ' 40' ' ' LEU . 16.0 mt -143.77 138.1 25.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.827 0.346 . . . . 0.0 111.019 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.494 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.2 mm? -63.3 136.01 57.4 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.935 0.398 . . . . 0.0 110.575 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.434 ' N ' ' O ' ' A' ' 75' ' ' VAL . 8.2 tp -159.2 97.98 1.41 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.55 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.57 ' O ' ' N ' ' A' ' 46' ' ' GLU . 21.6 pt-20 -90.82 -40.97 11.47 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.481 -179.527 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.425 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 17.5 m120 -42.84 87.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.983 -179.516 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.57 ' N ' ' O ' ' A' ' 44' ' ' GLU . 35.1 tt0 -32.46 -44.57 0.1 Allowed 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.012 -179.763 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.6 ' O ' ' N ' ' A' ' 50' ' ' ASN . 10.2 m-85 -60.61 -69.38 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.215 0.531 . . . . 0.0 109.844 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -37.52 -34.27 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.382 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.425 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 1.0 OUTLIER -80.09 -31.76 39.26 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.984 0.421 . . . . 0.0 110.308 179.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.6 ' N ' ' O ' ' A' ' 47' ' ' PHE . 19.3 t30 -54.94 -45.73 74.89 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.928 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.35 -47.23 7.88 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.648 -178.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.444 HD23 ' HA ' ' A' ' 52' ' ' LEU . 36.3 mt -49.1 -53.13 22.03 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.471 -178.439 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 38.3 t30 -74.19 -10.79 59.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.374 -0.53 . . . . 0.0 110.845 -179.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -73.6 -30.58 63.09 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -148.95 61.96 1.05 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.176 179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.423 ' C ' ' H ' ' A' ' 58' ' ' ILE . 39.6 t -87.73 45.11 1.24 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.526 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -75.38 41.74 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.352 179.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 60' ' ' HIS . 22.2 mm -65.04 -22.81 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.05 -179.598 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.47 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.4 tt -61.75 -1.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 121.312 0.577 . . . . 0.0 110.017 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.507 ' H ' ' C ' ' A' ' 58' ' ' ILE . 5.3 m170 -79.49 -35.05 40.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.095 179.089 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.768 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -114.37 -43.29 3.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.948 0.404 . . . . 0.0 110.285 -179.846 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -40.24 -32.94 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.289 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.5 -3.7 1.08 Allowed 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.283 -178.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.713 ' O ' ' HB2' ' A' ' 65' ' ' LEU . 1.4 t -102.75 96.78 7.08 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.003 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.1 OUTLIER 154.45 -30.36 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.606 0 O-C-N 123.895 0.747 . . . . 0.0 109.069 179.435 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.488 ' CD2' ' HB3' ' A' ' 65' ' ' LEU . 10.0 p90 -173.85 78.34 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.998 177.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 67' ' ' GLU . 4.1 pm0 -36.12 130.1 0.66 Allowed 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.897 -179.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.59 -9.55 1.65 Allowed Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.928 -0.869 . . . . 0.0 110.928 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.7 mm -50.68 110.76 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.874 0.369 . . . . 0.0 110.941 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.422 ' O ' ' OG ' ' A' ' 71' ' ' SER . 19.3 mmtp -81.38 -37.08 28.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.039 179.405 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 70' ' ' LYS . 17.3 m -175.62 177.12 1.8 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.676 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.0 t -147.65 146.3 18.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.685 179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 8.1 t-20 -173.0 160.74 4.27 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.675 0.75 . . . . 0.0 112.222 -179.549 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.705 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -130.56 148.32 52.34 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 114.779 -1.101 . . . . 0.0 109.202 179.478 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.511 HG22 HD21 ' A' ' 40' ' ' LEU . 18.8 m -144.84 -152.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 C-N-CA 120.741 -0.384 . . . . 0.0 111.117 -179.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.618 ' ND2' ' N ' ' A' ' 76' ' ' ASN . 0.0 OUTLIER -111.76 162.31 15.38 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 111.025 -179.611 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -36.28 -72.57 0.06 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.698 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.3 mm100 -48.11 -51.13 25.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.68 -179.023 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -51.45 -62.87 1.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.379 -0.528 . . . . 0.0 109.807 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.545 ' CD2' HD22 ' A' ' 40' ' ' LEU . 5.7 t80 -42.54 -42.7 3.44 Favored 'General case' 0 C--O 1.231 0.088 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' O ' ' N ' ' A' ' 85' ' ' ALA . 4.4 t80 -56.65 -65.1 0.67 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.76 -0.655 . . . . 0.0 109.726 179.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -37.85 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.375 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 81' ' ' PHE . 9.8 t30 -78.61 -52.98 7.67 Favored 'General case' 0 C--N 1.33 -0.256 0 C-N-CA 120.812 -0.355 . . . . 0.0 111.011 -179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.579 HD12 ' C ' ' A' ' 84' ' ' LEU . 1.3 pp -77.01 -20.32 56.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.76 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.85 -21.62 62.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.566 -0.453 . . . . 0.0 110.253 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.8 ttmm -51.08 -67.62 0.24 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.656 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.8 mt -41.7 122.21 1.93 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.751 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.45 49.43 0.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.444 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -145.94 9.86 1.16 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.517 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -80.13 62.61 4.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.408 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 39.7 m -119.92 135.38 54.91 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.555 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 57.9 mtt85 -66.06 -111.6 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.474 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.92 102.53 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.5 t -102.45 -0.16 32.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.826 -179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.962 HD13 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -99.85 6.74 45.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.47 179.79 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.475 ' N ' HD22 ' A' ' 95' ' ' LEU . 1.6 t80 -110.98 -152.78 0.5 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' C ' ' N ' ' A' ' 99' ' ' SER . 13.9 tt0 -163.13 146.33 10.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.537 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -47.94 -17.31 0.11 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.53 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.418 ' N ' ' C ' ' A' ' 97' ' ' GLN . 28.2 p -175.28 171.06 2.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.733 0 CA-C-O 118.005 -1.441 . . . . 0.0 110.932 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 30.5 mtm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.642 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.9 pm0 -88.0 -21.36 24.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.449 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.534 ' O ' ' N ' ' A' ' 6' ' ' ALA . 6.9 tp-100 -40.52 -75.76 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.556 ' CG ' ' N ' ' A' ' 5' ' ' ASN . 1.8 p90 -45.47 -44.91 12.71 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.556 ' N ' ' CG ' ' A' ' 4' ' ' PHE . 14.6 t30 -60.77 -27.83 68.28 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.372 -0.376 . . . . 0.0 109.999 179.219 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.534 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -82.78 -62.09 1.7 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.827 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -54.13 -43.75 70.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.021 0.438 . . . . 0.0 109.864 179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 15.1 ttpp -67.58 -43.07 81.48 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.397 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' A' ' 5' ' ' ASN . 18.0 p -62.75 -20.05 64.57 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 119.665 -0.814 . . . . 0.0 110.174 -178.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.704 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -75.42 -30.08 59.93 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.903 -0.777 . . . . 0.0 108.903 178.69 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.704 ' N ' HD23 ' A' ' 10' ' ' LEU . 4.7 mt -66.82 -43.93 82.48 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.557 ' O ' ' N ' ' A' ' 16' ' ' GLU . 14.4 ttmt -39.62 -52.03 2.24 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -52.87 -42.57 65.38 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.373 -0.602 . . . . 0.0 109.373 178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 11' ' ' LEU . 2.1 t60 -67.15 -62.73 1.28 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.824 179.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -89.66 29.81 1.11 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.916 -179.21 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.557 ' N ' ' O ' ' A' ' 12' ' ' LYS . 26.0 tt0 -52.0 -59.75 3.99 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.034 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.0 mtmm -78.05 4.33 12.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.034 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.9 m -132.41 39.84 3.35 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.335 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.706 HG23 ' N ' ' A' ' 20' ' ' GLY . 13.6 tt -75.42 -59.13 3.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.649 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.706 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -28.98 -62.17 0.14 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -44.38 -47.58 9.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.914 0.388 . . . . 0.0 109.999 179.288 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.588 ' N ' ' O ' ' A' ' 19' ' ' ILE . 6.6 t-80 -66.26 -38.43 87.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.574 179.64 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -77.69 -16.54 58.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.668 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 20' ' ' GLY . 11.9 tptt -100.26 -50.3 3.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.354 -0.384 . . . . 0.0 111.811 -179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 29.5 m-85 -87.33 -81.13 0.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.162 0.506 . . . . 0.0 111.829 -178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.511 ' O ' HG22 ' A' ' 29' ' ' ILE . 69.5 mt -47.54 -33.4 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.078 -178.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.586 ' O ' ' N ' ' A' ' 29' ' ' ILE . 46.5 tttp -37.93 -61.7 0.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.737 0.304 . . . . 0.0 111.283 -179.147 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -61.14 66.3 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.598 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.679 HD11 ' HB3' ' A' ' 42' ' ' LEU . 3.7 tp -167.63 165.58 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.463 ' C ' HD22 ' A' ' 30' ' ' ASN . 0.1 OUTLIER -176.82 43.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.49 179.888 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.18 109.61 10.56 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.352 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 43.1 p90 -146.03 135.98 23.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.631 179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' O ' HG23 ' A' ' 33' ' ' VAL . 5.9 m -132.34 131.54 60.62 Favored 'Isoleucine or valine' 0 C--O 1.237 0.435 0 CA-C-O 121.367 0.603 . . . . 0.0 112.042 -178.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.525 ' CE1' ' CD1' ' A' ' 66' ' ' TYR . 3.3 t80 -128.16 132.94 48.87 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 114.655 -1.157 . . . . 0.0 108.941 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER 177.16 -20.43 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.799 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.634 ' C ' ' H ' ' A' ' 38' ' ' VAL . 7.8 p-10 -119.4 50.29 1.26 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.799 0.333 . . . . 0.0 111.1 -179.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASN . 36.2 t-20 54.27 -2.29 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.752 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.634 ' H ' ' C ' ' A' ' 36' ' ' ASN . 86.9 t -119.63 153.31 22.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.669 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.405 HD12 ' C ' ' A' ' 38' ' ' VAL . 5.1 mp -126.38 125.58 42.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.837 0.351 . . . . 0.0 110.431 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -117.85 145.01 44.89 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.068 -0.515 . . . . 0.0 109.656 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 95.4 mt -139.9 135.63 38.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 121.001 0.429 . . . . 0.0 110.943 -179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.679 ' HB3' HD11 ' A' ' 29' ' ' ILE . 0.1 OUTLIER -61.86 135.45 57.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.158 179.806 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 75' ' ' VAL . 13.8 tp -154.41 105.19 2.64 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.518 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.492 ' O ' ' N ' ' A' ' 46' ' ' GLU . 9.6 pt-20 -90.2 -54.15 4.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.261 -179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.496 ' O ' ' HG3' ' A' ' 49' ' ' ARG . 50.2 m-80 -38.06 93.48 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.744 0.307 . . . . 0.0 110.796 -179.618 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 44' ' ' GLU . 8.7 tp10 -40.71 -41.14 1.46 Allowed 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 -179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.54 ' O ' ' N ' ' A' ' 50' ' ' ASN . 79.0 t80 -61.31 -67.53 0.4 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.097 0.475 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -40.21 -29.06 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.344 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 45' ' ' ASN . 0.0 OUTLIER -85.29 -33.9 22.02 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.089 0.471 . . . . 0.0 109.956 179.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 47' ' ' PHE . 21.5 t-20 -52.59 -45.89 66.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.363 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.41 -46.32 8.43 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.282 -0.872 . . . . 0.0 112.981 -178.076 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 52' ' ' LEU . 30.5 mt -48.94 -56.26 9.4 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.505 -0.478 . . . . 0.0 111.249 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.452 ' OD1' ' O ' ' A' ' 49' ' ' ARG . 1.7 p-10 -69.53 -12.81 61.95 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.701 -179.603 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -72.39 -28.27 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 13.5 p-10 -162.17 72.06 0.35 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.227 -0.897 . . . . 0.0 110.107 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 58' ' ' ILE . 3.4 p -100.31 55.32 0.9 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.792 -179.67 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -70.6 41.54 0.06 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.294 179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.506 HG22 ' O ' ' A' ' 58' ' ' ILE . 86.3 mt -68.96 -7.24 7.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.587 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.464 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.3 tt -77.73 0.69 2.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.42 0.629 . . . . 0.0 109.544 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 3.4 m170 -80.79 -22.72 39.84 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.926 179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.649 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -126.82 -37.37 2.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.716 0.294 . . . . 0.0 110.511 -179.693 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.522 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -53.17 -32.49 48.06 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.611 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -69.1 31.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.445 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.522 ' H ' ' C ' ' A' ' 62' ' ' ALA . 23.4 p -123.16 -37.55 2.69 Favored 'General case' 0 C--N 1.333 -0.147 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.319 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.4 tp -90.01 -29.74 18.22 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.525 ' CD1' ' CE1' ' A' ' 34' ' ' PHE . 60.2 m-85 -118.98 50.98 1.15 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.042 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 66' ' ' TYR . 4.0 pt-20 -31.39 110.81 0.07 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.109 -179.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASN . . . 122.31 3.24 9.67 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.8 mm -46.5 125.48 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 121.081 0.467 . . . . 0.0 110.994 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 tmtt? -86.61 -34.46 19.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.724 -0.671 . . . . 0.0 109.652 179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 m 174.04 -171.64 0.05 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.322 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 4.1 t -147.2 144.98 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.252 0 CA-C-N 116.1 -0.5 . . . . 0.0 109.941 179.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 19.6 t-20 -159.83 156.74 27.96 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.451 0.643 . . . . 0.0 111.902 -179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.663 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -135.93 148.27 48.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.497 179.618 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.506 ' O ' ' N ' ' A' ' 43' ' ' LEU . 20.1 m -145.96 -152.52 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.305 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.577 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 26.6 t-20 -112.47 172.27 7.02 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-O 121.778 0.799 . . . . 0.0 111.152 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.577 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 75.3 mm-40 -38.3 -73.14 0.05 Allowed 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 114.319 -1.31 . . . . 0.0 111.81 -178.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -50.6 -51.8 45.17 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.115 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 43.4 m-20 -51.43 -64.25 0.87 Allowed 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.156 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.612 ' CE2' HD23 ' A' ' 84' ' ' LEU . 33.0 t80 -43.06 -44.29 4.76 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.505 ' O ' ' N ' ' A' ' 85' ' ' ALA . 0.3 OUTLIER -56.86 -66.83 0.38 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 109.89 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.451 ' C ' ' O ' ' A' ' 81' ' ' PHE . 74.5 t80 -31.8 -35.89 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.195 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.496 ' N ' ' O ' ' A' ' 81' ' ' PHE . 26.0 t-20 -80.01 -54.01 6.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.025 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.945 ' O ' HD12 ' A' ' 84' ' ' LEU . 0.3 OUTLIER -71.94 -16.33 62.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.03 -179.895 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.505 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -70.88 -4.06 22.4 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.47 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 44.7 tttm -142.76 80.67 1.7 Allowed 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 120.986 0.422 . . . . 0.0 110.425 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 1.026 HD22 ' H ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -80.87 -11.1 59.65 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.377 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.524 ' C ' ' H ' ' A' ' 90' ' ' ASN . 79.6 mt-10 -42.26 -98.51 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.859 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 62.1 mm-40 56.96 1.89 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.626 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.678 ' ND2' ' H ' ' A' ' 91' ' ' SER . 0.4 OUTLIER 41.04 -161.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.599 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.678 ' H ' ' ND2' ' A' ' 90' ' ' ASN . 1.4 t 167.87 -10.29 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.524 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.443 ' H ' ' ND2' ' A' ' 90' ' ' ASN . 3.8 mtp180 173.15 114.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.368 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' ' 94' ' ' THR . 26.8 t0 45.15 -140.78 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.643 179.771 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.493 ' H ' ' CG ' ' A' ' 93' ' ' ASP . 9.8 t -53.03 -177.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.652 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.853 HD22 ' N ' ' A' ' 95' ' ' LEU . 0.8 OUTLIER -88.45 -167.13 1.78 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.397 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -97.37 19.62 12.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.423 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -159.77 97.3 1.29 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.598 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -167.03 167.37 14.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.616 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 85.1 p -162.56 30.16 0.11 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.567 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.685 0 CA-C-O 118.032 -1.427 . . . . 0.0 110.896 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.4 mtt . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 6' ' ' ALA . 56.7 mm-40 -86.97 -43.17 12.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.678 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.516 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.7 tm0? -44.37 -76.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.706 -179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.477 ' N ' ' OE1' ' A' ' 3' ' ' GLN . 1.5 t80 -43.22 -51.0 6.33 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.9 t-20 -59.34 -25.3 64.09 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.845 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -83.6 -62.14 1.66 Allowed 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.816 0.341 . . . . 0.0 110.837 -179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -56.12 -47.37 78.23 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 179.595 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.06 -48.38 80.47 Favored 'General case' 0 C--O 1.236 0.369 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.086 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 t -57.05 -19.83 21.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 119.65 -0.82 . . . . 0.0 109.598 -179.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.579 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.8 OUTLIER -69.15 -37.82 78.46 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.717 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.544 ' O ' ' N ' ' A' ' 14' ' ' HIS . 6.6 mt -61.95 -46.99 86.89 Favored 'General case' 0 CA--C 1.521 -0.156 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 178.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' A' ' 16' ' ' GLU . 5.8 mmtp -38.15 -56.44 1.18 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.754 -0.462 . . . . 0.0 109.754 178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mmtp -48.85 -42.33 36.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.324 0.583 . . . . 0.0 109.75 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.544 ' N ' ' O ' ' A' ' 11' ' ' LEU . 7.3 t60 -69.91 -64.37 0.9 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.299 179.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -84.94 26.02 0.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.718 -179.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' A' ' 12' ' ' LYS . 1.5 tm-20 -52.14 -49.05 64.47 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 0.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.0 mtmt -94.73 -14.59 24.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.692 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.2 m -105.95 34.08 3.49 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.537 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.662 HG23 ' N ' ' A' ' 20' ' ' GLY . 14.8 tt -74.98 -55.14 12.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.662 ' N ' HG23 ' A' ' 19' ' ' ILE . . . -31.22 -43.58 0.1 OUTLIER Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.507 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 41.8 t80 -58.77 -50.78 72.66 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.597 ' N ' ' O ' ' A' ' 19' ' ' ILE . 44.1 t-80 -59.84 -56.25 24.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.465 179.409 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -53.41 -14.12 0.71 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.065 -179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -68.47 0.81 Allowed 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 111.932 0.345 . . . . 0.0 111.932 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.546 ' CD2' ' HB2' ' A' ' 48' ' ' ALA . 61.7 m-85 -68.1 -70.44 0.26 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.963 0.411 . . . . 0.0 111.359 -178.45 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 28' ' ' ASP . 25.6 mt -64.29 -61.62 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.699 -179.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.516 ' N ' ' O ' ' A' ' 22' ' ' HIS . 41.9 tttm 60.18 -72.46 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.23 179.6 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 26' ' ' ILE . 24.8 t0 -155.41 129.03 8.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.379 . . . . 0.0 110.906 -179.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.772 HG22 ' H ' ' A' ' 31' ' ' ARG . 33.6 mm -108.61 167.54 3.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.218 179.657 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.577 ' N ' HG22 ' A' ' 29' ' ' ILE . 12.7 t-20 -139.75 3.79 2.08 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.898 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.772 ' H ' HG22 ' A' ' 29' ' ' ILE . 1.2 mmt180 -134.37 92.32 2.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.965 0.412 . . . . 0.0 110.889 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 33.3 p90 -144.6 125.81 14.68 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.172 -0.677 . . . . 0.0 109.172 179.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -136.48 144.03 33.9 Favored 'Isoleucine or valine' 0 C--O 1.234 0.268 0 CA-C-O 121.214 0.53 . . . . 0.0 111.964 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.652 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 2.9 t80 -121.67 56.59 1.06 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.219 -0.9 . . . . 0.0 109.592 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.613 ' O ' ' CB ' ' A' ' 36' ' ' ASN . 41.1 mttm -121.98 111.08 16.61 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.972 -178.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.613 ' CB ' ' O ' ' A' ' 35' ' ' LYS . 9.9 t30 139.66 -56.18 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.321 0 N-CA-C 108.812 -0.811 . . . . 0.0 108.812 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.515 ' OD1' ' O ' ' A' ' 36' ' ' ASN . 1.0 OUTLIER 160.33 -13.98 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.424 179.005 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG12 ' H ' ' A' ' 39' ' ' LEU . 0.9 OUTLIER -119.05 179.06 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.283 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.565 ' H ' HG12 ' A' ' 38' ' ' VAL . 4.6 mp -125.08 123.1 39.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.059 -0.518 . . . . 0.0 109.991 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -117.92 143.18 46.57 Favored 'General case' 0 N--CA 1.462 0.168 0 N-CA-C 109.541 -0.541 . . . . 0.0 109.541 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 23.1 mt -147.09 142.55 20.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.939 0.399 . . . . 0.0 111.153 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.542 HD23 ' CB ' ' A' ' 31' ' ' ARG . 4.1 mm? -70.07 140.92 52.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.115 -179.651 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 13.7 tp -163.93 77.76 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.83 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -57.55 -44.69 85.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.823 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -38.76 101.36 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.401 ' OE1' ' CZ ' ' A' ' 47' ' ' PHE . 13.2 pt-20 -59.39 -28.63 67.08 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.014 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.533 ' O ' ' N ' ' A' ' 50' ' ' ASN . 5.6 m-85 -74.19 -73.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.546 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -41.53 -34.23 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.479 179.794 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 -74.08 -36.46 64.31 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.32 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.533 ' N ' ' O ' ' A' ' 47' ' ' PHE . 40.9 t30 -54.59 -58.55 7.06 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.429 0.633 . . . . 0.0 110.422 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -69.72 -47.65 62.33 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 114.719 -1.128 . . . . 0.0 112.317 -179.285 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 23.0 mt -48.74 -52.34 24.22 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.526 -0.469 . . . . 0.0 110.698 -179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -76.06 -11.72 59.99 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.968 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -74.63 -25.92 59.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.932 0.396 . . . . 0.0 110.075 179.5 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 58.4 t30 -166.64 60.18 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.439 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.543 ' OG ' ' N ' ' A' ' 57' ' ' GLU . 1.8 t -77.17 -97.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.352 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.905 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 2.6 mt-10 77.17 22.4 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.977 -179.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.573 HG22 ' O ' ' A' ' 58' ' ' ILE . 4.6 mm -47.12 -1.08 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.222 -179.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.688 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.6 tt -86.13 -25.31 6.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.326 179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.905 ' ND1' ' O ' ' A' ' 57' ' ' GLU . 40.0 p-80 -56.97 -11.42 1.48 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.548 179.325 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.883 HD11 ' CE1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -124.19 -49.5 1.82 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 177.867 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.77 11.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.092 -179.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.545 ' H ' ' C ' ' A' ' 61' ' ' LEU . 9.6 pt-20 -90.25 27.51 1.64 Allowed 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.777 -179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.5 t -120.54 -64.08 1.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.62 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.47 HD21 ' HB1' ' A' ' 6' ' ' ALA . 1.8 mm? -43.96 -29.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.818 0.342 . . . . 0.0 110.347 -179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.521 ' N ' ' CD2' ' A' ' 66' ' ' TYR . 6.0 m-85 -118.45 154.28 32.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.358 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -47.16 -14.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.412 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.481 ' N ' ' C ' ' A' ' 66' ' ' TYR . . . 143.49 90.08 0.12 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.506 HD12 HD13 ' A' ' 39' ' ' LEU . 4.8 mm -44.96 154.44 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 C-N-CA 121.031 -0.268 . . . . 0.0 110.363 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.435 ' N ' HG22 ' A' ' 69' ' ' ILE . 3.3 tmtm? -88.47 -40.07 13.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.119 179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.566 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 0.5 OUTLIER -179.54 -178.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.778 179.738 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.566 ' N ' ' OG ' ' A' ' 71' ' ' SER . 22.5 t -148.46 146.49 17.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.72 179.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 74' ' ' PHE . 12.4 t-20 -164.94 155.02 13.63 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.365 0.602 . . . . 0.0 111.879 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -127.3 150.89 49.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.286 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 17.4 m -150.14 -153.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.602 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.59 ' CG ' ' N ' ' A' ' 77' ' ' GLU . 24.8 t-20 -121.86 173.39 7.53 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.817 0.818 . . . . 0.0 111.527 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.59 ' N ' ' CG ' ' A' ' 76' ' ' ASN . 25.6 mt-10 -37.16 -77.38 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.244 -1.344 . . . . 0.0 112.338 -178.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -48.26 -50.29 30.28 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.259 -178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -50.27 -65.98 0.47 Allowed 'General case' 0 C--N 1.323 -0.577 0 C-N-CA 120.321 -0.551 . . . . 0.0 109.955 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 1.8 t80 -48.32 -36.19 13.82 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.501 -0.555 . . . . 0.0 109.501 179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.11 -24.22 66.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.695 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.6 t80 -80.04 -28.09 39.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.896 0.379 . . . . 0.0 110.137 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -83.19 24.77 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.538 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 84' ' ' LEU . 1.4 mm? -93.34 -71.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 178.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.543 ' O ' ' N ' ' A' ' 87' ' ' LEU . . . -67.64 -34.57 77.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.687 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.514 ' C ' ' O ' ' A' ' 85' ' ' ALA . 43.0 tptt -25.12 -43.43 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.057 -179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' N ' ' O ' ' A' ' 85' ' ' ALA . 0.5 OUTLIER -50.57 91.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.261 179.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 86' ' ' LYS . 55.9 mm-40 -119.26 163.23 17.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.559 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.457 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 44.2 mt-10 -100.74 -95.77 0.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.515 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' OD1' ' O ' ' A' ' 89' ' ' GLU . 3.5 m-20 167.4 145.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.093 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 23.1 t -162.89 21.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.75 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.413 ' O ' ' CG ' ' A' ' 93' ' ' ASP . 16.5 mtm-85 -77.75 -80.79 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.634 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.413 ' CG ' ' O ' ' A' ' 92' ' ' ARG . 26.2 m-20 -165.47 8.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.26 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.453 ' H ' HG22 ' A' ' 94' ' ' THR . 0.0 OUTLIER -51.85 99.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.746 -179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.3 mp -77.59 -169.96 1.65 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.096 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -58.73 116.18 3.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.506 ' O ' ' N ' ' A' ' 99' ' ' SER . 15.4 mm100 -130.47 78.48 1.85 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.626 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 66.3 -44.55 0.41 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.629 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.506 ' N ' ' O ' ' A' ' 97' ' ' GLN . 35.0 t -140.38 -40.8 0.42 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.535 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.723 0 CA-C-O 118.016 -1.436 . . . . 0.0 110.972 179.942 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.539 ' O ' ' CE2' ' A' ' 4' ' ' PHE . 3.6 tpt . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.475 ' O ' ' N ' ' A' ' 6' ' ' ALA . 7.4 pt-20 -65.25 -10.52 32.76 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.661 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 6' ' ' ALA . 12.5 tt0 -44.83 -79.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.277 -179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.539 ' CE2' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -43.64 -46.63 7.4 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.843 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -58.55 -32.0 68.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.21 179.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.528 ' N ' ' O ' ' A' ' 3' ' ' GLN . . . -70.01 -54.75 11.82 Favored 'General case' 0 C--O 1.234 0.237 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.475 -179.137 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -43.4 80.33 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.225 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -60.38 -55.7 30.38 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.209 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 t -55.55 -27.21 47.66 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 119.429 -0.908 . . . . 0.0 108.596 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.02 -39.3 85.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.253 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.557 ' O ' ' N ' ' A' ' 14' ' ' HIS . 7.7 mt -62.33 -44.97 95.26 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.831 179.541 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 11' ' ' LEU . 3.1 ttpp -36.42 -59.89 0.62 Allowed 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.787 -0.449 . . . . 0.0 109.787 179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.7 tptp -48.59 -40.43 27.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.104 178.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.557 ' N ' ' O ' ' A' ' 11' ' ' LEU . 5.9 t-80 -68.63 -62.81 1.23 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.501 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -83.04 25.06 0.72 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.065 -178.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -50.07 -26.11 4.08 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.128 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 41.4 tttp -95.91 -39.7 9.67 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.11 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.89 35.83 0.64 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.584 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.919 HG23 ' H ' ' A' ' 20' ' ' GLY . 10.1 tt -52.0 -68.06 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.398 -0.521 . . . . 0.0 109.945 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.919 ' H ' HG23 ' A' ' 19' ' ' ILE . . . -30.24 -57.82 0.23 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 111.138 -0.785 . . . . 0.0 111.138 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.413 ' C ' ' O ' ' A' ' 20' ' ' GLY . 81.3 t80 -40.88 -49.76 3.21 Favored 'General case' 0 C--N 1.333 -0.11 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.379 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.533 ' N ' ' O ' ' A' ' 19' ' ' ILE . 41.5 t-80 -61.9 -57.0 13.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.945 179.298 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -57.04 -5.26 0.24 Allowed 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.567 -0.453 . . . . 0.0 110.067 179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' H ' ' C ' ' A' ' 22' ' ' HIS . 0.9 OUTLIER -93.9 -74.06 0.55 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.684 -179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.572 ' O ' ' N ' ' A' ' 27' ' ' LYS . 17.3 m-85 -101.94 -62.33 1.27 Allowed 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 119.907 -0.717 . . . . 0.0 112.298 -178.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 7.7 mm -42.02 -15.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.52 -178.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.572 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -82.35 -75.9 0.28 Allowed 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.668 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -38.65 -66.86 0.24 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.916 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.586 HG22 ' N ' ' A' ' 30' ' ' ASN . 96.7 mt -43.64 163.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.572 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.586 ' N ' HG22 ' A' ' 29' ' ' ILE . 64.6 t30 -172.66 47.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.627 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -131.97 112.89 12.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.126 0.488 . . . . 0.0 110.226 179.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 18.0 p90 -151.4 147.77 27.29 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.791 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.0 m -149.84 143.19 17.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.993 0.425 . . . . 0.0 111.178 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.668 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 4.3 p90 -136.15 62.47 1.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.742 179.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.451 ' O ' ' CG ' ' A' ' 36' ' ' ASN . 11.6 tptp -121.32 71.71 0.97 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.935 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 37' ' ' ASN . 3.0 m120 179.47 -45.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.767 -0.651 . . . . 0.0 109.474 179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.631 HD22 ' N ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER 154.4 -17.27 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.902 179.706 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.745 HG12 ' N ' ' A' ' 39' ' ' LEU . 46.1 t -119.85 176.17 3.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.521 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.745 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.2 mp -125.92 123.88 39.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.366 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -118.68 145.96 45.08 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.793 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 96.8 mt -139.24 134.84 41.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.283 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.0 mm? -67.11 132.38 47.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.18 -179.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 9.9 tp -160.5 98.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.164 178.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -89.98 -29.53 18.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -44.29 114.88 0.74 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.47 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -61.15 -33.81 74.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.028 -179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.576 ' O ' ' N ' ' A' ' 50' ' ' ASN . 7.6 m-85 -75.55 -75.1 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.733 0.301 . . . . 0.0 110.344 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 47' ' ' PHE . . . -37.24 -30.18 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.237 -179.477 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 47' ' ' PHE . 15.2 ttp85 -85.89 -33.77 21.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.819 -179.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.576 ' N ' ' O ' ' A' ' 47' ' ' PHE . 25.4 t-20 -55.25 -41.79 72.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.22 0.533 . . . . 0.0 110.884 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.05 -48.92 6.89 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.198 -0.91 . . . . 0.0 112.431 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.428 ' HA ' HD23 ' A' ' 52' ' ' LEU . 19.2 mt -45.92 -56.4 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.2 -178.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 27.9 p-10 -71.96 -9.8 58.88 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.519 -0.473 . . . . 0.0 111.216 -179.218 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 30.9 t0 -74.97 -31.36 61.44 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.3 p-10 -166.82 95.11 0.5 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.564 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 52' ' ' LEU . 7.6 m -148.99 78.08 1.38 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.374 . . . . 0.0 111.198 -179.179 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.614 ' CD ' ' H ' ' A' ' 57' ' ' GLU . 1.6 pm0 -79.41 50.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.022 179.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.2 mm -53.69 -2.95 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.024 -179.56 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.539 ' H ' ' C ' ' A' ' 57' ' ' GLU . 4.4 tt -89.95 1.41 7.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.413 0.625 . . . . 0.0 109.655 179.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -82.78 -23.34 33.95 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.155 179.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.59 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -124.65 -38.04 2.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.228 0.537 . . . . 0.0 109.781 179.687 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.412 ' O ' HG13 ' A' ' 69' ' ' ILE . . . -56.83 4.32 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.333 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 64' ' ' SER . 2.0 mm-40 -79.53 -94.67 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 119.764 -0.774 . . . . 0.0 110.363 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.572 ' C ' ' O ' ' A' ' 63' ' ' GLU . 22.1 t -3.08 -66.23 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.402 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 63' ' ' GLU . 35.3 tp -40.74 -33.33 0.28 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.572 0.225 . . . . 0.0 110.871 -179.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.516 ' N ' ' O ' ' A' ' 63' ' ' GLU . 4.8 m-85 -117.73 -174.33 2.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.857 0.361 . . . . 0.0 110.087 179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -75.86 -27.19 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.425 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 159.15 83.15 0.05 OUTLIER Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.526 HD12 ' CD1' ' A' ' 39' ' ' LEU . 12.6 mm -44.54 148.21 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.878 0.37 . . . . 0.0 110.674 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.0 tptp -85.61 -38.26 18.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.297 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.409 ' N ' HG22 ' A' ' 69' ' ' ILE . 0.3 OUTLIER -178.42 -179.08 0.65 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.628 179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 26.0 t -147.69 146.09 18.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.747 179.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -167.84 162.6 13.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.332 0.587 . . . . 0.0 111.809 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.492 ' N ' ' CD2' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -140.53 148.37 40.94 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.699 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -155.42 -168.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 C-N-CA 120.864 -0.335 . . . . 0.0 110.822 -179.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.49 ' OD1' ' N ' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -87.17 160.61 18.45 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.225 0.536 . . . . 0.0 111.428 -179.403 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.412 ' CA ' ' OE1' ' A' ' 77' ' ' GLU . 0.0 OUTLIER -38.61 -70.33 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.259 -0.882 . . . . 0.0 111.678 -179.306 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . 0.477 ' H ' ' CD ' ' A' ' 78' ' ' GLN . 18.8 mp0 -45.94 -54.62 7.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.929 0.395 . . . . 0.0 110.681 -179.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -50.94 -67.66 0.23 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.187 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -41.85 -46.04 3.84 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.295 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.575 ' O ' ' N ' ' A' ' 85' ' ' ALA . 3.5 t80 -54.67 -64.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.918 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 81' ' ' PHE . 50.1 t80 -32.99 -36.04 0.02 OUTLIER 'General case' 0 N--CA 1.461 0.118 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.639 179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 81' ' ' PHE . 6.9 t30 -74.61 -50.76 16.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.939 179.217 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' A' ' 81' ' ' PHE . 44.1 tp -75.5 -19.03 59.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.421 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.575 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -86.36 -40.59 15.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.65 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 88' ' ' GLU . 54.8 tttm -72.5 -70.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.78 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 60.87 -73.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.228 -179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.536 ' N ' ' O ' ' A' ' 86' ' ' LYS . 40.8 mt-10 -133.19 172.44 12.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.33 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' O ' ' OD1' ' A' ' 90' ' ' ASN . 28.6 mm-40 -70.92 -21.49 62.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.557 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 89' ' ' GLU . 25.3 m-80 -152.03 -127.71 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.5 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.406 ' O ' ' O ' ' A' ' 92' ' ' ARG . 43.5 p -126.69 -9.42 6.16 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.397 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 91' ' ' SER . 49.0 mtp85 37.65 92.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.963 179.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -125.2 136.5 53.64 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.41 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.476 HG23 ' O ' ' A' ' 94' ' ' THR . 11.1 t -79.44 127.1 31.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.677 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.616 HD12 ' N ' ' A' ' 95' ' ' LEU . 8.7 mp -84.22 -169.82 2.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.259 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.65 38.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.915 0.388 . . . . 0.0 110.347 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.463 ' H ' ' C ' ' A' ' 95' ' ' LEU . 57.5 mt-30 -142.55 105.61 4.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.524 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.465 ' N ' ' OD1' ' A' ' 98' ' ' ASN . 8.3 p-10 -175.58 136.31 0.33 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.564 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 39.3 p -156.84 121.98 4.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.564 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.221 -0.705 0 CA-C-O 118.031 -1.427 . . . . 0.0 110.934 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 ptt? . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.497 ' O ' ' N ' ' A' ' 6' ' ' ALA . 46.1 mt-10 -88.17 -46.3 9.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.458 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 6' ' ' ALA . 62.5 tt0 -39.52 -73.49 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.019 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -44.91 -45.71 10.53 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.141 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.5 t-20 -67.95 -21.5 65.09 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.282 -179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.497 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . -85.36 -65.62 0.99 Allowed 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.732 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -52.26 -39.64 60.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.432 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 ttmm -74.01 -42.61 60.08 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.721 -179.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -61.22 -23.81 65.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 119.516 -0.874 . . . . 0.0 109.462 -179.197 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' O ' HD23 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -66.93 -46.49 74.63 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 178.773 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.479 ' O ' ' C ' ' A' ' 12' ' ' LYS . 51.1 mt -49.44 -57.54 6.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 179.009 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' A' ' 11' ' ' LEU . 31.6 mtpt -31.13 -49.15 0.13 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.946 179.267 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB2' ' O ' ' A' ' 10' ' ' LEU . 10.5 mmmt -49.65 -48.15 49.54 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.086 179.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.46 ' C ' ' H ' ' A' ' 16' ' ' GLU . 13.5 t-80 -91.72 -41.77 10.52 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.514 -178.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -75.31 20.62 0.15 Allowed 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.206 -0.598 . . . . 0.0 110.697 -179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' A' ' 14' ' ' HIS . 67.7 tt0 -80.45 -46.3 16.14 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.927 0.394 . . . . 0.0 110.282 179.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -76.91 -14.06 59.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.272 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.478 ' C ' ' H ' ' A' ' 20' ' ' GLY . 0.3 OUTLIER -96.9 17.42 16.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.01 179.667 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.6 tt -62.03 1.18 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.735 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 18' ' ' THR . . . -92.04 -66.86 1.12 Allowed Glycine 0 CA--C 1.52 0.356 0 N-CA-C 109.719 -1.352 . . . . 0.0 109.719 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.432 ' CE2' ' CD1' ' A' ' 25' ' ' TYR . 56.6 t80 -48.65 -32.22 7.96 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 178.454 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.497 ' O ' ' N ' ' A' ' 27' ' ' LYS . 16.6 t-80 -66.2 -70.93 0.21 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.398 178.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -40.69 -29.97 0.11 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.018 0.437 . . . . 0.0 110.631 179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.4 tptt -84.69 -75.75 0.34 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.644 -0.707 . . . . 0.0 112.77 -178.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.75 ' CD2' ' HB2' ' A' ' 48' ' ' ALA . 52.6 m-85 -75.68 -72.51 0.31 Allowed 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.478 -0.489 . . . . 0.0 112.254 -177.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.491 ' O ' ' N ' ' A' ' 28' ' ' ASP . 11.7 mm -53.42 -55.49 12.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.625 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.497 ' N ' ' O ' ' A' ' 22' ' ' HIS . 58.9 tttm 46.83 -91.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.348 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.629 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.2 OUTLIER -89.79 -91.11 0.14 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.082 179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.629 ' O ' ' O ' ' A' ' 28' ' ' ASP . 38.7 mm 43.61 116.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.159 0 CA-C-O 121.001 0.429 . . . . 0.0 111.099 179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 51.4 t-20 -140.53 36.8 1.84 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.18 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.37 113.97 20.64 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.185 0.517 . . . . 0.0 110.206 179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.417 ' CD1' ' N ' ' A' ' 32' ' ' PHE . 16.5 p90 -161.35 153.2 19.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.04 -179.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.1 m -153.21 152.87 9.66 Favored 'Isoleucine or valine' 0 C--O 1.236 0.346 0 CA-C-O 121.116 0.484 . . . . 0.0 111.481 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CG ' ' O ' ' A' ' 34' ' ' PHE . 10.9 t80 -131.21 51.2 2.16 Favored 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.742 179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.3 mttt -119.65 55.21 0.98 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.642 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 36' ' ' ASN . 0.2 OUTLIER -173.05 38.63 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.469 179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 53.85 11.76 0.36 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.378 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.585 HG12 ' N ' ' A' ' 39' ' ' LEU . 43.9 t -149.79 164.51 3.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.233 179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.585 ' N ' HG12 ' A' ' 38' ' ' VAL . 5.1 mp -117.64 120.0 36.7 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.084 -179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' CD2' ' CG2' ' A' ' 75' ' ' VAL . 2.2 mt -119.69 140.13 51.15 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.033 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 52.1 mt -133.75 132.07 56.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.942 -179.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 2.7 mm? -57.8 126.22 26.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.741 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 11.1 tp -161.91 87.94 0.67 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.396 179.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.597 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 5.8 mp0 -78.44 -26.05 46.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.447 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 -48.1 122.45 5.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.507 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.417 ' O ' ' OE1' ' A' ' 46' ' ' GLU . 8.4 tp10 -71.08 -52.61 18.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.502 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.73 -61.15 2.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.821 0.343 . . . . 0.0 110.986 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.75 ' HB2' ' CD2' ' A' ' 25' ' ' TYR . . . -47.9 -60.93 2.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.549 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.7 ttt-85 -49.98 -43.62 50.46 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -47.84 -56.85 6.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.668 0.746 . . . . 0.0 110.786 -178.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.21 -39.71 68.37 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 114.217 -1.356 . . . . 0.0 112.677 -178.672 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 18.5 mt -58.73 -48.0 82.68 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.241 -0.584 . . . . 0.0 110.158 -179.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 83.6 m-20 -74.58 -19.42 60.33 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.076 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.92 -25.68 65.6 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.624 0.726 . . . . 0.0 109.127 178.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 36.8 m-20 -169.47 107.97 0.41 Allowed 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 114.593 -1.185 . . . . 0.0 109.72 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.0 t -154.45 82.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.927 0.394 . . . . 0.0 110.651 -179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -91.08 50.53 1.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.651 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.8 mm -62.18 -15.11 13.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.296 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.478 ' O ' ' CG1' ' A' ' 59' ' ' ILE . 3.1 tt -73.68 3.01 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.384 0.612 . . . . 0.0 109.356 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -79.42 -45.39 19.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.855 -1.066 . . . . 0.0 111.48 179.266 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.957 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -97.16 -36.57 10.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.003 0.43 . . . . 0.0 110.774 -179.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.67 -35.91 75.39 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.781 -179.217 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' OE2' ' O ' ' A' ' 59' ' ' ILE . 11.9 pt-20 -66.31 34.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.178 0.436 . . . . 0.0 112.178 -178.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 62' ' ' ALA . 22.8 t -122.28 -27.72 4.44 Favored 'General case' 0 C--N 1.331 -0.228 0 C-N-CA 120.689 -0.404 . . . . 0.0 111.064 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.75 -32.53 17.87 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.613 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . 0.526 ' CE1' ' CE1' ' A' ' 34' ' ' PHE . 37.4 p90 -166.96 107.17 0.62 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.049 0.452 . . . . 0.0 110.58 178.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.557 ' C ' ' H ' ' A' ' 69' ' ' ILE . 84.2 mt-10 -46.83 -11.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.085 -179.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.499 ' H ' ' C ' ' A' ' 66' ' ' TYR . . . -52.19 -4.3 0.12 Allowed Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.557 ' H ' ' C ' ' A' ' 67' ' ' GLU . 4.8 mm -76.07 103.0 3.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.78 0.324 . . . . 0.0 111.138 -179.724 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 43.7 mmtt -83.41 -32.6 26.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.052 0.453 . . . . 0.0 109.806 178.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.538 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 12.9 t 177.34 -173.16 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.518 -0.765 . . . . 0.0 109.922 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.538 ' N ' ' OG ' ' A' ' 71' ' ' SER . 15.4 t -147.43 146.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.367 179.567 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -166.65 156.37 11.4 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.585 0.707 . . . . 0.0 111.802 -179.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.681 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -123.44 141.61 51.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.872 -1.058 . . . . 0.0 109.381 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.433 ' CG2' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -154.32 -174.72 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.004 0.43 . . . . 0.0 110.771 -179.807 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -79.89 157.16 27.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.406 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -54.04 -31.18 50.65 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.659 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -71.3 -52.88 16.4 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.554 -0.458 . . . . 0.0 111.061 -179.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 60.7 t0 -62.73 -49.41 75.15 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.549 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' O ' ' CD2' ' A' ' 80' ' ' PHE . 0.3 OUTLIER -52.47 -36.96 55.99 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.331 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.574 ' O ' ' N ' ' A' ' 85' ' ' ALA . 27.3 t80 -62.84 -49.12 76.14 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -55.26 -28.43 53.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.471 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -78.19 -47.62 17.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 109.742 179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 84' ' ' LEU . 2.2 tp -83.56 -5.09 59.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.322 -179.61 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' A' ' 81' ' ' PHE . . . -106.14 13.8 28.54 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.932 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.52 ' O ' ' N ' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -118.21 -8.44 10.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.832 0.348 . . . . 0.0 110.506 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' A' ' 87' ' ' LEU . 0.3 OUTLIER -39.06 91.31 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.942 -179.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 86' ' ' LYS . 24.7 mt-10 42.3 -149.62 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.805 179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -140.61 5.69 2.02 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.658 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 52.0 t-20 -73.91 131.97 42.0 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.474 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 41.9 t -161.15 41.26 0.15 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.737 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 13.0 tpp85 -76.57 149.49 36.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.231 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.57 ' O ' ' C ' ' A' ' 94' ' ' THR . 15.0 m-20 -149.63 14.69 0.85 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.629 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.57 ' C ' ' O ' ' A' ' 93' ' ' ASP . 7.5 t 1.88 112.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 115.804 -0.635 . . . . 0.0 112.069 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.609 HD12 ' N ' ' A' ' 95' ' ' LEU . 9.8 mp -53.74 -166.73 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.424 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.535 ' CE2' ' O ' ' A' ' 97' ' ' GLN . 72.2 t80 -39.34 145.74 0.11 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.69 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.574 ' OE1' ' N ' ' A' ' 97' ' ' GLN . 10.4 pm0 -144.55 -143.42 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.401 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -151.05 127.92 10.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 110.622 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 7.5 t -161.89 -13.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.592 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.772 0 CA-C-O 118.064 -1.409 . . . . 0.0 110.962 179.94 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 ttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 6' ' ' ALA . 9.5 pt-20 -75.49 -19.31 59.48 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.666 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.573 ' O ' ' HB3' ' A' ' 6' ' ' ALA . 15.0 tt0 -36.93 -76.0 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.211 -179.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -51.66 -36.57 46.81 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.137 -0.625 . . . . 0.0 109.396 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -59.84 -30.01 68.67 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 108.601 -0.888 . . . . 0.0 108.601 178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.573 ' HB3' ' O ' ' A' ' 3' ' ' GLN . . . -68.71 -55.81 10.15 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-N 115.509 -0.768 . . . . 0.0 110.151 179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.851 ' CZ ' HD11 ' A' ' 11' ' ' LEU . 0.9 OUTLIER -59.85 -36.83 77.67 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 179.069 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 11' ' ' LEU . 19.5 ttpp -55.32 -57.45 11.78 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.986 179.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -49.5 -40.51 37.84 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.494 -179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 61' ' ' LEU . 1.1 mt -53.39 -33.25 53.09 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 120.351 -0.539 . . . . 0.0 109.75 179.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.851 HD11 ' CZ ' ' A' ' 7' ' ' PHE . 11.7 mt -75.95 -28.64 58.0 Favored 'General case' 0 C--O 1.223 -0.331 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.598 -179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 45.0 tttm -54.8 -63.7 1.07 Allowed 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 119.923 -0.711 . . . . 0.0 110.189 179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -53.24 -39.26 63.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.098 0.475 . . . . 0.0 110.39 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.514 ' CG ' HD21 ' A' ' 61' ' ' LEU . 17.7 t60 -65.32 -68.96 0.32 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.185 179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.461 ' C ' ' H ' ' A' ' 17' ' ' LYS . 3.8 m-85 -73.33 19.03 0.1 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.493 -179.135 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -64.01 2.12 0.58 Allowed 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.516 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' H ' ' C ' ' A' ' 15' ' ' TYR . 22.8 mtmm -130.23 11.53 5.46 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.642 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.04 44.36 2.46 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.943 0.402 . . . . 0.0 110.25 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.747 HD13 ' H ' ' A' ' 19' ' ' ILE . 0.0 OUTLIER -58.23 -75.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.172 -179.546 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.563 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -23.0 -64.9 0.03 OUTLIER Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -40.75 -46.54 2.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.858 0.361 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.646 ' N ' ' O ' ' A' ' 19' ' ' ILE . 36.9 t-80 -58.2 -60.19 4.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.219 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.94 -5.73 0.67 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.611 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.435 ' H ' ' C ' ' A' ' 22' ' ' HIS . 4.3 tptp -84.7 -71.45 0.52 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.671 -178.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.485 ' CD2' ' CG ' ' A' ' 45' ' ' ASN . 24.5 m-85 -107.52 -67.81 0.93 Allowed 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 111.968 0.358 . . . . 0.0 111.968 -178.73 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 28' ' ' ASP . 73.8 mt -41.21 -43.52 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.683 0.278 . . . . 0.0 110.628 -179.062 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.555 ' O ' ' CE1' ' A' ' 22' ' ' HIS . 0.2 OUTLIER 35.83 -94.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.683 179.63 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' ILE . 22.2 p-10 -147.53 120.69 8.88 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.003 0.43 . . . . 0.0 110.767 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.461 HG22 ' H ' ' A' ' 30' ' ' ASN . 3.4 mt -130.84 168.45 23.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.913 179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.461 ' H ' HG22 ' A' ' 29' ' ' ILE . 14.6 m120 -153.63 39.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.617 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.4 tpp180 -135.68 109.87 8.34 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.071 0.463 . . . . 0.0 110.813 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.7 p90 -147.17 167.72 23.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.152 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 33' ' ' VAL . 17.6 m -141.37 116.02 5.55 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 121.134 0.492 . . . . 0.0 111.377 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.509 ' C ' ' CD2' ' A' ' 34' ' ' PHE . 0.2 OUTLIER -127.24 131.48 50.59 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.387 -179.488 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.478 ' N ' ' CD2' ' A' ' 34' ' ' PHE . 33.8 mtmm -129.9 -52.6 1.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.291 179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.457 ' ND2' ' C ' ' A' ' 36' ' ' ASN . 0.4 OUTLIER 163.37 -31.93 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.437 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.415 ' C ' HG23 ' A' ' 38' ' ' VAL . 52.5 t30 -80.26 -49.87 11.0 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.415 -179.165 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.65 HG12 ' N ' ' A' ' 39' ' ' LEU . 56.4 t -152.35 166.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.572 -179.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.65 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.1 mp -125.02 126.28 45.17 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.295 179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.39 147.24 43.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 85.6 mt -140.86 139.46 34.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.237 0 CA-C-O 121.157 0.503 . . . . 0.0 111.864 -178.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' CD2' ' N ' ' A' ' 42' ' ' LEU . 4.1 mm? -58.95 129.18 40.89 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.551 -0.75 . . . . 0.0 110.931 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.424 ' O ' ' O ' ' A' ' 75' ' ' VAL . 18.3 tp -160.15 114.2 2.21 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.77 179.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 46' ' ' GLU . 0.7 OUTLIER -88.6 -69.92 0.68 Allowed 'General case' 0 N--CA 1.466 0.349 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -178.722 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.485 ' CG ' ' CD2' ' A' ' 25' ' ' TYR . 11.4 m-80 -30.89 89.31 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 111.593 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.546 ' N ' ' O ' ' A' ' 44' ' ' GLU . 21.7 tt0 -38.01 -38.82 0.34 Allowed 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.108 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.555 ' O ' ' N ' ' A' ' 50' ' ' ASN . 41.1 m-85 -63.46 -66.83 0.49 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -36.41 -31.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.54 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.543 ' NH1' ' OD1' ' A' ' 76' ' ' ASN . 2.2 mtm180 -82.65 -31.94 28.47 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.485 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.555 ' N ' ' O ' ' A' ' 47' ' ' PHE . 0.4 OUTLIER -70.77 -22.07 62.43 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.256 -179.484 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.547 ' O ' ' ND2' ' A' ' 55' ' ' ASN . 0.6 OUTLIER -90.74 -60.01 2.03 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.155 -179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 56' ' ' SER . 56.6 mt -50.28 -35.64 28.06 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.839 -179.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.4 t30 -95.53 -15.33 22.94 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -178.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.404 ' CB ' ' O ' ' A' ' 50' ' ' ASN . 23.6 t0 -91.52 -26.73 18.63 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.503 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.547 ' ND2' ' O ' ' A' ' 51' ' ' SER . 0.3 OUTLIER -157.24 95.97 1.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.304 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.585 ' OG ' HD11 ' A' ' 58' ' ' ILE . 5.7 t -161.88 -60.52 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.891 -179.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.492 ' C ' ' H ' ' A' ' 59' ' ' ILE . 6.7 mt-10 69.89 52.18 0.41 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.636 -179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.585 HD11 ' OG ' ' A' ' 56' ' ' SER . 27.5 mm -61.4 -0.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.177 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.492 ' H ' ' C ' ' A' ' 57' ' ' GLU . 3.0 tt -88.04 -7.36 10.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.937 179.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -76.56 -23.73 53.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.813 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.979 ' H ' HD12 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -112.16 -41.09 4.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 121.121 0.486 . . . . 0.0 110.085 179.742 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.55 -20.16 30.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.929 179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -5.09 30.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.576 -178.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.4 m -99.43 -34.95 10.07 Favored 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.282 179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.5 tp -89.49 -34.03 16.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.092 0.472 . . . . 0.0 109.807 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -119.2 109.5 15.93 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.071 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -83.83 121.55 27.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.777 0.323 . . . . 0.0 110.842 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.55 15.71 18.17 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mm -59.59 122.59 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.974 0.416 . . . . 0.0 110.924 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.8 mmtt -85.88 -34.02 21.09 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.938 179.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.614 ' OG ' ' N ' ' A' ' 72' ' ' VAL . 4.5 t 174.1 -170.95 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.216 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.614 ' N ' ' OG ' ' A' ' 71' ' ' SER . 25.6 t -143.45 140.56 26.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 109.96 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -141.43 157.87 44.61 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.57 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.694 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -147.94 139.45 23.71 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.259 -0.882 . . . . 0.0 108.922 179.27 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 43' ' ' LEU . 21.7 m -149.6 -169.06 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.313 0 C-N-CA 120.478 -0.489 . . . . 0.0 111.564 -179.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.746 HD22 ' H ' ' A' ' 79' ' ' ASP . 0.1 OUTLIER -78.68 160.22 27.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.837 -179.852 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -52.04 -30.59 26.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.108 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 71.1 mt-30 -77.52 -56.7 4.31 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.124 -0.63 . . . . 0.0 110.491 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . 0.746 ' H ' HD22 ' A' ' 76' ' ' ASN . 52.7 t0 -55.15 -50.36 69.49 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.69 -0.404 . . . . 0.0 109.947 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.475 ' CD2' ' C ' ' A' ' 80' ' ' PHE . 1.5 t80 -52.66 -43.14 65.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.949 179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 29.0 t80 -74.49 -13.29 60.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.802 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -74.05 -39.19 63.67 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -69.94 -33.25 71.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.974 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 32.2 tp -73.71 -17.49 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.752 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -84.19 -30.29 25.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.778 -0.647 . . . . 0.0 110.667 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.415 ' O ' ' C ' ' A' ' 87' ' ' LEU . 14.7 ttmt -43.53 -53.3 5.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.938 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.519 HD12 ' N ' ' A' ' 87' ' ' LEU . 10.7 mp -36.56 104.59 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -66.53 162.57 20.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.632 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.26 19.08 2.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.553 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.601 HD22 ' H ' ' A' ' 90' ' ' ASN . 0.8 OUTLIER -62.77 -128.7 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.562 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.467 ' N ' ' CG ' ' A' ' 90' ' ' ASN . 4.7 t -155.86 -151.98 0.36 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.426 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.534 ' N ' ' HE ' ' A' ' 92' ' ' ARG . 2.2 mmp_? -77.0 68.89 3.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.511 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -157.88 -6.93 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.49 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.413 ' H ' HG22 ' A' ' 94' ' ' THR . 0.5 OUTLIER -68.94 132.42 46.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.603 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.726 ' H ' ' CD2' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -65.87 85.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.384 179.93 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.462 ' O ' ' CD2' ' A' ' 96' ' ' TYR . 53.0 t80 -136.88 3.45 2.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.532 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -160.35 88.18 0.79 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.5 ' OD1' ' N ' ' A' ' 99' ' ' SER . 14.3 t-20 -150.68 176.59 10.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.511 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.5 ' N ' ' OD1' ' A' ' 98' ' ' ASN . 20.3 p -160.99 170.4 20.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.581 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.22 -0.746 0 CA-C-O 117.933 -1.482 . . . . 0.0 110.918 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.532 ' SD ' ' N ' ' A' ' 2' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.532 ' N ' ' SD ' ' A' ' 1' ' ' MET . 24.4 pt-20 -80.63 -15.16 57.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.605 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.519 ' O ' ' N ' ' A' ' 6' ' ' ALA . 40.7 tt0 -45.89 -76.5 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -41.98 -52.09 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.235 0.541 . . . . 0.0 109.724 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.67 -28.82 64.11 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.539 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.955 ' HB1' HD21 ' A' ' 65' ' ' LEU . . . -80.34 -58.01 3.33 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.845 -0.342 . . . . 0.0 111.106 -179.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.404 ' O ' ' HB3' ' A' ' 10' ' ' LEU . 1.2 t80 -60.8 -47.77 84.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 110.54 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.9 ttpt -62.85 -48.45 78.98 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.85 -0.34 . . . . 0.0 111.11 -179.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.2 m -54.5 -29.84 51.51 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 119.735 -0.786 . . . . 0.0 109.911 -179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 61' ' ' LEU . 0.4 OUTLIER -65.32 -33.93 77.14 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.476 -0.565 . . . . 0.0 109.476 179.166 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.583 ' N ' HD23 ' A' ' 10' ' ' LEU . 2.7 mt -61.7 -46.59 89.03 Favored 'General case' 0 C--N 1.333 -0.12 0 N-CA-C 108.563 -0.903 . . . . 0.0 108.563 178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' GLU . 32.8 ttpt -40.26 -57.18 1.79 Allowed 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.031 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.466 ' NZ ' ' OE2' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -45.73 -42.77 12.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.258 0.551 . . . . 0.0 109.788 178.371 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.497 ' N ' ' O ' ' A' ' 11' ' ' LEU . 0.8 OUTLIER -68.04 -58.83 3.86 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.403 -0.817 . . . . 0.0 111.275 179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -95.38 34.02 1.5 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.819 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.548 ' N ' ' O ' ' A' ' 12' ' ' LYS . 22.4 tt0 -63.92 -57.64 9.16 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.632 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -83.31 9.54 10.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.74 -179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.598 HG22 ' HB3' ' A' ' 21' ' ' PHE . 5.0 m -96.77 52.45 1.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.433 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.758 ' O ' ' N ' ' A' ' 22' ' ' HIS . 0.0 OUTLIER -59.91 -83.21 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.625 -179.894 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.529 ' C ' ' O ' ' A' ' 19' ' ' ILE . . . -19.02 -45.03 0.01 OUTLIER Glycine 0 CA--C 1.531 1.063 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.397 -179.172 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.619 ' N ' ' O ' ' A' ' 19' ' ' ILE . 37.2 t80 -68.66 -42.0 78.52 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.931 0.396 . . . . 0.0 110.366 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.758 ' N ' ' O ' ' A' ' 19' ' ' ILE . 62.7 t-80 -70.07 -16.57 63.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.713 179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -93.55 -11.71 31.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.977 0.418 . . . . 0.0 110.122 178.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.8 tptp -86.59 -69.85 0.65 Allowed 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.865 -0.607 . . . . 0.0 112.245 -178.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.608 ' O ' ' N ' ' A' ' 27' ' ' LYS . 13.3 m-85 -119.81 -63.46 1.37 Allowed 'General case' 0 N--CA 1.467 0.422 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 -178.487 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.602 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mp -40.41 -15.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.309 -178.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 25' ' ' TYR . 59.5 tttp -11.31 -61.17 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-O 120.786 0.327 . . . . 0.0 111.758 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 26' ' ' ILE . 16.8 t70 -168.85 96.27 0.36 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.709 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 mt -77.89 171.86 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.078 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 34.9 m120 -145.49 6.53 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.892 -0.323 . . . . 0.0 111.212 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.522 ' CB ' HD23 ' A' ' 42' ' ' LEU . 22.6 mmt180 -131.46 98.83 4.63 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.139 0.495 . . . . 0.0 111.231 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -151.67 129.27 11.48 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.6 m -142.59 155.16 18.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 C-N-CA 120.019 -0.672 . . . . 0.0 112.675 -178.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.684 ' CD2' ' N ' ' A' ' 34' ' ' PHE . 0.0 OUTLIER -121.13 122.78 40.77 Favored 'General case' 0 N--CA 1.462 0.144 0 CA-C-N 114.752 -1.113 . . . . 0.0 108.998 179.004 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -119.07 -70.23 0.8 Allowed 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.831 -0.348 . . . . 0.0 111.44 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASN . . . . . 0.513 ' O ' HG23 ' A' ' 38' ' ' VAL . 9.3 t-20 -119.72 82.34 1.87 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.752 0.31 . . . . 0.0 110.936 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 9.6 m120 49.4 13.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.754 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.53 ' C ' HD12 ' A' ' 39' ' ' LEU . 78.5 t -119.65 143.13 32.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.334 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD12 ' C ' ' A' ' 38' ' ' VAL . 9.2 mp -121.19 120.75 36.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.314 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.35 143.54 46.55 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 14.3 mt -140.81 135.44 33.88 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.056 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.574 HD21 ' CD1' ' A' ' 80' ' ' PHE . 3.9 mm? -60.87 137.61 58.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.926 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 75' ' ' VAL . 9.8 tp -163.34 97.63 0.9 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.573 179.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -90.46 -33.73 15.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.89 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.597 ' ND2' ' CD2' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -43.2 124.07 3.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.876 0.37 . . . . 0.0 110.55 -179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 52.3 tt0 -65.84 -43.66 87.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.713 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.507 ' O ' ' N ' ' A' ' 50' ' ' ASN . 47.3 m-85 -66.28 -67.97 0.41 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.498 -179.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.422 ' HB2' ' CD1' ' A' ' 25' ' ' TYR . . . -39.0 -39.97 0.61 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' NH1' ' O ' ' A' ' 74' ' ' PHE . 0.3 OUTLIER -76.65 -36.86 57.12 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.407 179.796 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.507 ' N ' ' O ' ' A' ' 47' ' ' PHE . 48.9 t-20 -50.1 -48.25 53.45 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.393 -179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.08 -41.91 11.41 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.453 -0.794 . . . . 0.0 112.887 -178.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 52' ' ' LEU . 23.7 mt -51.2 -60.81 2.71 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.242 -0.583 . . . . 0.0 110.701 -178.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 p-10 -66.46 -13.77 61.28 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.788 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -71.12 -27.92 63.93 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -167.0 98.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.172 -0.922 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 58' ' ' ILE . 24.8 p -132.73 67.39 1.53 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.008 0.433 . . . . 0.0 110.548 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.563 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 14.4 mt-10 -71.26 41.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.772 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 58' ' ' ILE . 78.2 mt -64.18 -5.99 2.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.451 -0.499 . . . . 0.0 111.063 -179.325 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.402 ' O ' ' OE1' ' A' ' 63' ' ' GLU . 4.6 tt -90.75 -8.66 10.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.337 0 CA-C-O 121.095 0.474 . . . . 0.0 110.337 178.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.578 ' CE1' HD21 ' A' ' 61' ' ' LEU . 1.8 p-80 -85.61 -2.67 58.41 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.75 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.739 ' HB2' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -132.28 -45.66 0.92 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.634 -0.876 . . . . 0.0 108.634 176.844 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.595 ' C ' ' H ' ' A' ' 64' ' ' SER . . . -59.87 -23.12 63.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.617 -0.719 . . . . 0.0 111.001 179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 59' ' ' ILE . 9.1 pt-20 -63.58 33.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.63 -178.68 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.595 ' H ' ' C ' ' A' ' 62' ' ' ALA . 89.3 p -126.17 -64.11 1.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.851 0.358 . . . . 0.0 110.642 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.955 HD21 ' HB1' ' A' ' 6' ' ' ALA . 0.2 OUTLIER -43.27 -29.85 0.45 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.726 -179.792 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -119.36 165.19 14.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.533 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -51.68 -22.66 3.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.381 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.39 91.6 0.08 OUTLIER Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 39' ' ' LEU . 4.5 mm -49.86 144.71 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.688 0.28 . . . . 0.0 110.425 179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 10.2 tptp -81.07 -40.19 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.41 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 t -175.61 178.16 1.63 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.749 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.2 t -148.87 148.36 15.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.537 179.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -172.29 160.64 5.09 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 121.61 0.719 . . . . 0.0 112.187 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.703 ' CD1' ' N ' ' A' ' 74' ' ' PHE . 0.0 OUTLIER -128.22 146.86 50.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.026 179.355 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.402 ' O ' ' N ' ' A' ' 43' ' ' LEU . 17.0 m -146.34 -157.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.552 -0.459 . . . . 0.0 111.275 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' A' ' 76' ' ' ASN . 0.8 OUTLIER -105.51 161.79 14.04 Favored 'General case' 0 C--O 1.232 0.148 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.009 -179.549 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 76' ' ' ASN . 14.0 mm-40 -35.52 -70.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.625 -179.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 84.8 mt-30 -49.58 -49.97 44.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.786 0.327 . . . . 0.0 111.059 -179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.69 -63.83 1.02 Allowed 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.57 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.574 ' CD1' HD21 ' A' ' 42' ' ' LEU . 5.9 t80 -45.45 -44.46 12.28 Favored 'General case' 0 C--O 1.231 0.127 0 CA-C-O 120.815 0.34 . . . . 0.0 110.172 179.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.516 ' O ' ' N ' ' A' ' 83' ' ' ASN . 53.2 t80 -56.68 -67.6 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.228 -0.442 . . . . 0.0 109.953 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' C ' ' O ' ' A' ' 81' ' ' PHE . 20.2 t80 -36.08 -29.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.867 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.516 ' N ' ' O ' ' A' ' 81' ' ' PHE . 1.5 t-20 -75.67 -51.62 12.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.798 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.527 ' O ' HD13 ' A' ' 87' ' ' LEU . 2.0 pp -83.75 -18.76 36.74 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.851 -179.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.434 ' HB2' ' CD1' ' A' ' 81' ' ' PHE . . . -62.39 -3.18 1.27 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.757 -179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . 0.644 ' C ' ' H ' ' A' ' 88' ' ' GLU . 2.7 tppp? -94.32 -86.75 0.27 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.832 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.527 HD13 ' O ' ' A' ' 84' ' ' LEU . 5.7 mp 62.23 -31.44 0.09 Allowed 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.644 ' H ' ' C ' ' A' ' 86' ' ' LYS . 0.2 OUTLIER 82.97 -73.19 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.923 179.759 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.514 ' O ' ' N ' ' A' ' 91' ' ' SER . 4.2 tp10 -96.11 16.39 18.18 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.902 -179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 50.1 m-20 42.07 20.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.613 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.515 ' OG ' ' N ' ' A' ' 92' ' ' ARG . 46.8 t -152.01 -141.93 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.619 -179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.515 ' N ' ' OG ' ' A' ' 91' ' ' SER . 16.0 mtt-85 -86.07 115.0 23.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.575 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -103.1 105.54 15.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.458 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 94' ' ' THR . 10.1 t -106.2 67.17 0.73 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.611 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.564 ' H ' HD12 ' A' ' 95' ' ' LEU . 0.1 OUTLIER -87.34 149.75 24.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.292 179.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -46.35 172.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.517 -179.888 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 44.3 mt-30 -135.92 159.16 42.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . 0.526 ' N ' HD22 ' A' ' 98' ' ' ASN . 1.2 m120 -74.15 -169.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.613 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 38.6 t -159.95 -12.21 0.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.577 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.219 -0.781 0 CA-C-O 118.086 -1.397 . . . . 0.0 110.926 -179.964 . . . . . . . . 0 0 . 1 stop_ save_