data_2kgq_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 2kgq _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 ' 4' ' ' CYS . . . . . 0.493 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 1.0 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.09 141.44 48.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -143.11 113.97 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.537 -0.542 . . . . 1.0 109.537 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.426 ' CG1' ' OE2' ' A' ' 9' ' ' GLU . 15.6 t -82.38 129.33 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.458 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.48 ' CE2' ' SG ' ' A' ' 49' ' ' CYS . 59.3 m-85 -115.06 77.8 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.282 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.426 ' OE2' ' CG1' ' A' ' 7' ' ' VAL . 53.6 mp0 -63.61 -9.88 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 m-20 -91.27 17.92 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.818 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -152.58 41.21 0.19 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 112.962 0.727 . . . . 1.0 112.962 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.818 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.1 Cg_endo -89.09 116.99 0.79 Allowed 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.246 2.631 . . . . 1.0 109.652 176.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -134.61 140.97 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.508 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -53.58 -32.26 50.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' H ' HG12 ' A' ' 13' ' ' VAL . 89.8 mttt -58.98 -26.73 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.019 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.3 m -65.66 -24.74 67.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.201 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -42.26 -18.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.885 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 84.8 mt -97.52 105.14 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.287 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.8 -18.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.646 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -78.59 -48.42 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.984 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -60.85 -39.39 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.373 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 92.4 m -51.92 -60.52 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.734 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.646 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.4 p-10 -68.59 -42.69 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.632 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -64.2 -52.92 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 1.0 110.788 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -63.22 -46.22 88.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.066 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 75.1 m -57.82 -45.33 86.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.324 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -55.22 -41.84 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.074 0.464 . . . . 1.0 109.904 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.16 -37.07 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -97.39 -61.18 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 54.6 mmtt -96.34 6.21 49.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.978 0.733 . . . . 1.0 112.978 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.1 m80 52.82 27.62 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.227 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.99 152.04 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' NH1' ' SG ' ' A' ' 52' ' ' CYS . 78.2 mtt180 -76.05 -41.85 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.74 -0.384 . . . . 1.0 111.401 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.613 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -130.14 -3.64 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.711 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.613 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.64 101.53 0.01 OUTLIER Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -116.71 129.18 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 17.0 m -104.51 141.19 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.416 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -128.34 160.63 31.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.273 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 21.5 m-85 -93.73 125.94 38.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 46.6 p-10 -99.44 -171.42 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.574 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -73.65 4.08 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.41 19.52 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.359 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.686 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -103.8 155.15 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.193 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.3 mt -85.95 107.7 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.737 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.686 ' NE2' HD22 ' A' ' 44' ' ' ASN . 59.9 mm-40 -87.66 122.35 31.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.609 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 84.5 m -80.63 107.99 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.734 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mt -108.65 103.41 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.648 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' CE2' ' A' ' 8' ' ' TYR . 35.1 m -68.22 126.49 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.529 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.843 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.3 p30 -108.82 139.15 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.167 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.443 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 20.3 m-85 -112.27 94.7 5.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.27 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.589 ' SG ' ' NH1' ' A' ' 33' ' ' ARG . 3.0 m 73.38 -69.12 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.725 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.6 mp0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 1.0 110.993 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HZ1' ' CG2' ' A' ' 48' ' ' ILE . 16.4 mmmt -97.26 134.82 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.189 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.571 ' NZ ' ' HH ' ' A' ' 8' ' ' TYR . 9.7 mtmp? -140.49 123.01 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.67 129.86 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.466 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.571 ' HH ' ' NZ ' ' A' ' 6' ' ' LYS . 36.3 m-85 -107.12 76.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.315 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 52.4 mp0 -62.84 -9.22 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.39 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.529 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.0 m-20 -91.32 18.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 1.0 109.908 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.824 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 71.3 m-85 -153.02 40.94 0.18 Allowed Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.94 0.718 . . . . 1.0 112.94 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.824 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.1 Cg_endo -87.47 117.06 1.19 Allowed 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.22 2.614 . . . . 1.0 109.636 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -134.49 143.02 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.535 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -51.69 -33.95 36.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -59.44 -27.02 65.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.666 -0.697 . . . . 1.0 109.966 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 55.5 m -63.43 -24.95 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.18 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -44.25 -15.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.86 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.8 mt -101.47 103.49 14.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.289 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.8 -15.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.441 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.662 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -80.32 -47.66 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -61.51 -38.52 87.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.346 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 29.6 m -53.76 -60.08 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.689 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.662 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.8 p-10 -67.65 -42.05 82.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 1.0 111.603 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.409 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -65.26 -53.54 42.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.834 0.35 . . . . 1.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -62.21 -44.95 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 1.0 111.111 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 30' ' ' LYS . 65.9 m -57.35 -44.06 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.347 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 47.0 mttm -56.34 -40.68 74.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.126 0.488 . . . . 1.0 110.009 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.28 -39.47 71.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.185 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -98.57 -61.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.115 0.783 . . . . 1.0 113.115 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.636 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 39.5 mmtm -90.8 2.98 55.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.98 0.733 . . . . 1.0 112.98 -177.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' CYS . 23.1 m80 53.93 21.12 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.841 -0.343 . . . . 1.0 111.211 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.42 153.77 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.522 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 20.5 mmt85 -78.88 -41.22 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.371 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.638 ' O ' ' O ' ' A' ' 35' ' ' GLY . 4.5 t -128.87 -4.02 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.755 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.638 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 22.95 102.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.56 134.59 54.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.992 -0.373 . . . . 1.0 109.992 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 66.3 m -107.68 143.65 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.446 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -132.66 163.92 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.285 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -90.08 130.37 36.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.393 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.0 p30 -99.76 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.511 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.5 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -79.92 10.19 4.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.582 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 61.2 17.38 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.299 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -97.14 151.34 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.241 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.4 mt -87.49 105.73 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -87.64 125.92 34.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.594 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 59.6 m -82.57 106.19 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.742 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.414 ' CG2' ' HZ1' ' A' ' 5' ' ' LYS . 24.7 mt -98.62 102.18 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -83.14 135.63 34.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.571 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.786 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 6.1 p30 -114.81 143.99 44.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.197 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' C ' ' H ' ' A' ' 53' ' ' GLU . 10.7 m-85 -113.5 95.39 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.232 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' SG ' ' NH2' ' A' ' 33' ' ' ARG . 3.3 m 71.84 -29.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.767 177.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' A' ' 51' ' ' TYR . 79.0 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.006 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.818 0.342 . . . . 1.0 110.615 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.21 128.04 36.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.158 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.3 mtmm -135.55 130.68 34.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.66 135.51 27.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.427 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 11.0 m-85 -132.31 77.45 1.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.325 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 11' ' ' TYR . 38.9 mp0 -63.24 -142.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.428 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.561 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 39.6 m-20 45.67 13.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.851 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.858 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-85 -153.86 36.1 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 113.013 0.746 . . . . 1.0 113.013 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.858 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.7 Cg_endo -88.01 115.68 0.96 Allowed 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 123.271 2.647 . . . . 1.0 109.697 175.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -136.02 145.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.654 -0.419 . . . . 1.0 111.501 -177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.447 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 86.2 p -54.44 -33.17 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' N ' ' HG ' ' A' ' 14' ' ' SER . 9.4 mtmp? -59.66 -27.12 66.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.052 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 38.7 m -64.33 -24.69 67.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -43.33 -17.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 1.0 109.893 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 86.3 mt -98.12 104.67 16.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.71 -17.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.422 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.667 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -79.44 -47.01 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -61.29 -38.62 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.343 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 36.1 m -54.44 -58.98 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.771 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.667 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 7.2 p-10 -67.81 -43.46 79.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.606 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.474 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -64.08 -53.09 55.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.333 . . . . 1.0 110.882 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.31 -45.15 94.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.045 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 61.4 m -56.63 -45.46 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 1.0 110.348 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -56.21 -42.09 76.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 1.0 109.914 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -37.75 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -97.28 -61.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.652 ' NZ ' ' CD1' ' A' ' 11' ' ' TYR . 36.6 mmtm -94.66 1.58 55.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.95 0.722 . . . . 1.0 112.95 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 m80 56.95 22.46 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.306 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 159.75 15.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.69 -45.79 20.55 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.307 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -130.68 -2.94 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.687 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 34.02 103.79 0.01 OUTLIER Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -113.73 127.02 55.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.096 -0.335 . . . . 1.0 110.096 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 45.4 m -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.443 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -127.59 161.87 27.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.277 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 35.9 m-85 -92.4 130.87 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.447 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.1 p30 -99.05 -177.86 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.548 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.42 -30.59 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.577 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -79.4 9.4 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.638 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.66 17.27 8.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.392 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -95.19 150.81 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.19 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -86.96 106.01 17.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.651 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -88.18 123.98 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.637 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 38.9 m -82.92 109.59 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.737 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.65 108.1 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 59.6 m -70.94 123.47 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.69 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.8 p30 -103.41 147.29 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 8.0 m-85 -110.37 96.85 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.233 178.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 76.38 -64.19 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.695 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 1.0 110.949 -179.606 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.337 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -91.75 131.54 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.201 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.633 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -139.52 135.27 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.56 137.3 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.441 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -126.02 82.17 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 58.1 mp0 -60.72 172.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.392 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.06 -0.99 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.918 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.847 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.8 m-85 -126.4 3.71 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 113.019 0.748 . . . . 1.0 113.019 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.847 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.2 Cg_endo -79.45 119.1 4.04 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.295 2.663 . . . . 1.0 109.7 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' CYS . 7.1 t -135.84 149.57 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.576 -0.449 . . . . 1.0 111.464 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -50.11 -34.03 20.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' NZ ' ' CB ' ' A' ' 15' ' ' LYS . 9.5 mtmp? -60.46 -27.25 67.4 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.026 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 18' ' ' LEU . 49.1 m -65.6 -22.19 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.131 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -43.35 -16.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 1.0 109.911 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -97.64 102.6 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.313 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.16 -15.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.463 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -80.88 -47.12 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.957 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -62.34 -39.08 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.311 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 71.3 m -54.72 -59.21 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.751 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.4 p-10 -67.46 -42.2 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.563 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.8 m-85 -65.91 -52.8 46.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 1.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.56 -45.63 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.075 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.563 ' O ' ' N ' ' A' ' 30' ' ' LYS . 81.4 m -58.14 -44.4 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.329 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -54.89 -42.62 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 1.0 109.912 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.38 -33.19 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.7 -0.682 . . . . 1.0 111.182 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -97.17 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' NZ ' ' CZ ' ' A' ' 11' ' ' TYR . 43.7 mmtm -101.84 11.39 38.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.956 0.724 . . . . 1.0 112.956 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 51.07 30.79 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.847 -0.341 . . . . 1.0 111.209 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.71 149.93 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 59.5 mmt-85 -75.07 -42.26 57.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.371 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.682 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -129.55 -6.33 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.714 -178.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 26.43 105.98 0.0 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -126.09 141.48 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 34.2 m -110.03 141.58 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 1.0 111.367 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -127.47 162.94 25.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.253 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -93.44 125.45 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.446 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 53.9 p-10 -101.82 -169.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.565 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -67.8 -30.9 70.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.67 3.02 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 60.92 19.68 10.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.266 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.679 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -107.46 156.08 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.227 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 23.6 mt -83.32 106.86 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.693 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.679 ' NE2' HD22 ' A' ' 44' ' ' ASN . 80.2 mm-40 -85.89 123.31 31.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.7 m -79.27 105.45 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.711 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.2 mt -106.43 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.599 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.7 m -75.49 128.02 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.571 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.717 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.2 p30 -103.14 146.74 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.121 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.633 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.2 m-85 -111.38 96.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 77.86 -65.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.769 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 1.0 111.02 -179.181 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.9 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.836 0.351 . . . . 1.0 110.55 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -130.56 138.6 50.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.21 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.6 mtmm -147.84 122.38 9.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -84.33 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.418 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.03 84.25 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.325 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 72.0 mm-40 -65.02 165.21 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.405 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.18 1.64 3.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.868 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.794 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 29.8 m-85 -115.44 -17.66 0.1 Allowed Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 113.023 0.749 . . . . 1.0 113.023 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 87.4 Cg_exo -44.6 115.7 0.9 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.203 2.602 . . . . 1.0 109.72 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.634 HG23 ' H ' ' A' ' 15' ' ' LYS . 10.9 p -137.36 149.71 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.559 -0.456 . . . . 1.0 111.492 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -55.02 -34.63 63.66 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.634 ' H ' HG23 ' A' ' 13' ' ' VAL . 49.7 mtmt -58.71 -27.59 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.062 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.558 ' C ' ' H ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -69.64 -21.24 63.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.246 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -45.44 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.83 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.558 ' H ' ' C ' ' A' ' 16' ' ' CYS . 10.7 mt -105.78 107.0 17.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.264 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.34 -17.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.479 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -80.3 -45.27 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.976 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.51 -40.49 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.348 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 7.1 m -52.17 -59.38 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.756 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.2 p-10 -67.19 -44.73 78.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.602 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.71 -52.96 62.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.64 -44.11 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.086 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.635 ' O ' ' N ' ' A' ' 30' ' ' LYS . 93.9 m -64.41 -42.38 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 1.0 110.327 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -52.83 -46.05 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.933 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.24 -35.16 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.226 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -97.38 -61.58 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 39.5 mmtm -96.86 -0.8 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.967 0.728 . . . . 1.0 112.967 -176.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 26' ' ' CYS . 27.5 m-70 61.78 35.68 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.773 -0.371 . . . . 1.0 111.251 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.53 153.5 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 mmt-85 -84.73 -50.57 7.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.334 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.562 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m -127.89 -1.43 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.72 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 55.32 137.9 0.0 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 35' ' ' GLY . 70.6 mm-40 -143.91 106.55 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 8.4 m -108.88 132.71 53.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.374 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.93 161.67 28.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -94.13 131.94 39.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.42 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.1 p30 -101.73 -178.64 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.533 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.53 -29.23 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -80.03 9.03 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.59 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 62.65 13.72 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.289 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -91.96 150.69 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.195 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 mt -86.58 106.63 17.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.747 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 93.3 mm-40 -77.4 113.68 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.622 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.83 101.35 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mt -107.06 103.95 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.573 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 130.27 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.52 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.747 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 8.1 p30 -108.99 145.51 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.222 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.9 m-85 -112.54 94.61 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.224 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.0 m 72.93 -71.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.72 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 50.6 mp0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 1.0 110.996 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 1.0 110.551 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -99.01 135.57 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.177 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -149.21 121.9 8.64 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.04 141.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.372 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -114.12 89.41 3.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.322 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -71.65 162.12 29.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.425 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 70.9 1.52 3.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 1.0 109.822 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.796 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.5 m-85 -111.81 -17.18 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 112.981 0.734 . . . . 1.0 112.981 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 79.1 Cg_exo -46.7 126.33 10.59 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 123.257 2.638 . . . . 1.0 109.591 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 11' ' ' TYR . 5.6 t -133.0 141.45 44.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.485 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 t -51.29 -30.48 18.14 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.67 -26.24 68.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.038 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 75.1 m -64.14 -24.0 67.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.237 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -44.89 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.929 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.0 mt -104.25 105.3 15.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.299 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.38 -16.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.43 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.637 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -80.49 -49.77 10.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -60.42 -38.2 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.387 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.575 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 78.5 m -54.22 -60.58 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.747 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.637 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.29 -42.32 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.6 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -64.93 -54.07 36.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 1.0 110.805 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.3 -43.82 97.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.105 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.8 m -59.61 -43.21 93.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.216 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -56.48 -43.12 79.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 109.918 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.98 -43.4 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -98.45 -59.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' CYS . 49.4 mttp -83.34 0.73 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.016 0.747 . . . . 1.0 113.016 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 26' ' ' CYS . 25.1 m80 55.8 16.3 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.28 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.74 154.31 41.06 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -81.27 -42.27 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.323 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -127.43 -7.47 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.727 -178.387 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.06 101.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -112.62 128.53 56.4 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.016 -0.365 . . . . 1.0 110.016 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.575 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.0 m -108.59 140.4 42.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 1.0 111.406 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -130.19 162.8 28.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.302 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -92.06 130.74 37.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 54.1 p30 -103.64 -175.58 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.588 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.7 -30.3 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.522 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -79.37 8.95 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.58 17.23 8.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.309 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -96.9 151.78 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.24 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.3 mt -86.42 103.79 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.641 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -78.39 113.17 16.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 m -77.8 100.88 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.795 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mt -98.16 101.33 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.594 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 76.7 m -79.33 135.79 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.523 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.754 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 6.8 p30 -111.99 145.13 40.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.201 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.5 ' C ' ' H ' ' A' ' 53' ' ' GLU . 15.1 m-85 -113.81 95.55 5.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.181 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.433 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.1 m 73.45 -26.99 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.679 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 51' ' ' TYR . 78.0 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.948 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.745 0.307 . . . . 1.0 110.541 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HZ1' ' CB ' ' A' ' 50' ' ' ASP . 66.1 mmtt -96.82 134.23 40.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.216 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.641 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.5 mtmm -138.84 123.38 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.92 139.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.091 0.472 . . . . 1.0 111.423 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.521 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 9.1 m-85 -115.17 87.46 2.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.345 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 78.3 mm-40 -72.65 158.94 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.463 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 72.47 5.54 5.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.852 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.793 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.2 m-85 -116.74 -17.1 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 112.987 0.736 . . . . 1.0 112.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 76.1 Cg_exo -46.77 122.43 5.99 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.27 2.647 . . . . 1.0 109.632 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 11' ' ' TYR . 11.6 t -132.51 142.76 41.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.506 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -51.47 -32.94 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' H ' HG13 ' A' ' 13' ' ' VAL . 98.3 mttt -60.67 -26.53 67.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.928 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.5 m -64.51 -25.16 67.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -44.25 -16.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 16' ' ' CYS . 11.7 mt -101.97 104.23 14.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.322 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.0 -18.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.442 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -79.19 -48.96 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.934 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -60.31 -38.17 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.407 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 92.1 m -53.3 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.756 -0.657 . . . . 1.0 111.762 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -67.95 -44.3 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.621 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.5 m-85 -62.11 -52.56 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -64.05 -43.94 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.608 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.1 m -60.9 -42.91 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.314 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 44.4 mttm -56.78 -43.77 81.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.02 0.438 . . . . 1.0 109.963 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.46 -42.97 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -98.65 -57.49 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.055 0.761 . . . . 1.0 113.055 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 26' ' ' CYS . 84.6 mttt -87.83 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' CYS . 21.8 m80 55.92 22.5 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.848 -0.341 . . . . 1.0 111.266 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.38 155.74 38.21 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.541 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 23.4 mmt85 -81.14 -42.17 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.72 -0.392 . . . . 1.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.605 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -130.15 -4.06 4.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.727 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 30.24 100.72 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -113.69 128.47 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 14.0 m -107.21 140.91 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.378 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -127.24 160.6 30.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.32 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 16.6 m-85 -97.89 128.16 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -103.97 -174.42 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.538 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.44 -29.75 69.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -76.25 6.79 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.559 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 60.3 14.02 4.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.438 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -94.01 150.1 20.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.159 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 35.1 mt -87.04 104.08 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.71 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 94.4 mm-40 -80.6 112.94 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.582 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.549 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 94.3 m -80.25 105.77 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.2 mt -105.45 101.9 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.585 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.521 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 65.7 m -70.63 130.49 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.532 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.815 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 6.3 p30 -109.64 141.49 42.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.227 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.641 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 10.9 m-85 -110.37 96.13 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.243 177.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 75.92 -69.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.72 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.955 -179.67 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 1.0 110.578 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.03 134.65 34.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.192 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.8 mtmm -145.71 127.24 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -86.52 139.03 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.433 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -126.11 81.81 2.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.31 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -60.87 169.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.465 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER 64.26 42.97 5.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 1.0 109.909 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.822 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 6.0 m-85 -154.52 -36.34 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 112.955 0.724 . . . . 1.0 112.955 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.822 ' CD ' ' H ' ' A' ' 11' ' ' TYR . 28.1 Cg_exo -61.33 142.13 94.92 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 123.224 2.616 . . . . 1.0 109.64 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' CYS . 23.1 t -136.3 159.81 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.527 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 20.0 m -47.07 -28.16 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.21 -26.69 62.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.001 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.634 ' C ' ' H ' ' A' ' 18' ' ' LEU . 92.3 m -66.63 -18.54 65.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.241 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -48.95 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 109.948 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.634 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.4 mt -108.94 112.3 24.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.344 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.85 -15.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.639 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.1 m-20 -81.24 -48.08 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.982 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.66 -37.0 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.324 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 6.0 m -54.77 -59.66 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.71 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.639 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.0 p-10 -67.45 -41.43 84.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.622 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.6 m-85 -66.14 -51.66 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 1.0 110.865 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.18 -44.56 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.089 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 30' ' ' LYS . 99.1 m -59.87 -41.57 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 1.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -57.73 -42.88 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 1.0 109.927 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.44 -31.99 67.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.202 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.31 -61.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 1.0 113.112 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.594 ' NZ ' ' CZ ' ' A' ' 11' ' ' TYR . 56.9 mmtt -103.68 14.94 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 48.66 28.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.29 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.95 154.89 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 58.9 mmt-85 -76.9 -48.19 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.79 -0.364 . . . . 1.0 111.344 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.2 m -128.63 -3.52 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.779 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.672 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 27.31 104.36 0.0 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 52.0 mp0 -113.57 130.58 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 52.4 m -106.1 133.78 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.445 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -125.68 161.84 26.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.319 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.455 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 10.7 m-85 -97.0 127.87 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.09 -177.1 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.555 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.49 -29.59 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.501 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -71.39 3.81 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 62.99 18.15 10.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.363 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.714 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -107.68 154.16 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.215 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 8.4 mt -86.44 120.31 27.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.667 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.714 ' NE2' HD22 ' A' ' 44' ' ' ASN . 73.1 mm-40 -100.84 126.58 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.609 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.4 m -86.34 111.15 20.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.716 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.4 mt -105.34 101.42 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.616 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -76.95 132.03 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.485 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.75 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 7.1 p30 -114.63 145.15 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.205 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.7 m-85 -111.39 96.56 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.279 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.495 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 78.77 -70.56 0.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.782 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 1.0 110.967 -179.622 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 1.0 110.591 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -98.78 129.05 45.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.175 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -139.82 116.63 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 t -84.11 130.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.417 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.22 84.33 2.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.315 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' A' ' 11' ' ' TYR . 42.4 mp0 -69.03 167.85 15.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.407 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 66.19 -2.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.877 179.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.784 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 8.6 m-85 -108.2 -19.65 0.15 Allowed Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.969 0.729 . . . . 1.0 112.969 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.3 Cg_endo -78.8 140.62 16.48 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 123.222 2.615 . . . . 1.0 109.668 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 16' ' ' CYS . 40.5 t -135.75 162.23 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.503 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.418 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 33.7 m -46.9 -27.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.175 -0.676 . . . . 1.0 109.175 178.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -72.11 -27.09 62.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.97 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.644 ' C ' ' H ' ' A' ' 18' ' ' LEU . 90.4 m -66.21 -19.53 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.234 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -47.8 -8.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.852 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.644 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.1 mt -106.66 108.16 19.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.08 -12.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.45 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.649 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -82.73 -47.85 11.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.901 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.03 -36.76 84.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.324 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 3.9 m -57.11 -59.29 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.812 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.649 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.2 p-10 -66.81 -42.0 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.615 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -66.07 -52.49 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.773 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.109 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 70.8 m -62.81 -42.37 99.69 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -56.2 -42.99 78.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 1.0 109.998 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.44 -34.17 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.164 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -98.76 -62.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.058 0.762 . . . . 1.0 113.058 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' CYS . 58.1 mmtt -96.5 6.14 49.35 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.989 0.737 . . . . 1.0 112.989 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' CYS . 73.0 m-70 53.55 30.45 10.74 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.839 -0.344 . . . . 1.0 111.19 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 149.51 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 52' ' ' CYS . 78.0 mtt180 -76.34 -42.63 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.716 -0.394 . . . . 1.0 111.405 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.2 t -125.29 -6.82 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.715 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 19.35 104.04 0.0 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -123.58 140.08 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 91.9 m -109.12 132.09 54.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.435 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -123.8 163.91 20.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 13.7 m-85 -92.64 122.5 35.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.444 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.71 -174.59 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 45.5 mp0 -64.74 -28.69 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.491 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -70.33 1.68 4.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 62.46 16.06 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.318 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.673 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -113.29 155.48 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.189 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 11.1 mt -79.33 124.7 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.728 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.673 ' NE2' HD22 ' A' ' 44' ' ' ASN . 69.8 mm-40 -107.63 125.8 51.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.638 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 64.1 m -82.77 106.48 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.799 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.5 mt -100.28 101.6 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.75 131.07 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.529 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.863 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 4.0 p30 -111.63 139.15 47.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.47 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 56.5 m-85 -113.69 96.43 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.208 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 33' ' ' ARG . 3.3 m 76.5 -37.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.746 176.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 51' ' ' TYR . 77.7 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 1.0 110.97 -178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.813 0.339 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -92.6 131.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.181 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.638 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.3 mtmm -139.74 132.12 28.44 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 t -81.74 135.09 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.507 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -125.24 79.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.295 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 54.8 mp0 -60.8 172.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.335 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.96 -3.76 2.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.892 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.803 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.4 m-85 -124.24 9.3 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 113.034 0.753 . . . . 1.0 113.034 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.803 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 90.3 Cg_endo -82.39 119.16 3.01 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 123.157 2.571 . . . . 1.0 109.681 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -135.89 152.62 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.544 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -50.86 -32.52 20.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -60.35 -27.68 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.972 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 18' ' ' LEU . 61.1 m -64.86 -24.76 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.125 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -44.01 -16.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.975 0.417 . . . . 1.0 109.905 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.2 mt -103.77 104.94 15.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.3 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.06 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.46 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.67 -46.76 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 109.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -61.84 -40.55 95.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.309 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 33.4 m -52.09 -60.22 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.803 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.9 p-10 -67.83 -43.48 79.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.674 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.418 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -63.98 -51.91 62.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 1.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.29 -47.39 79.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 87.8 m -59.2 -44.12 92.23 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.337 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.7 mtpm? -53.61 -43.44 68.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 1.0 109.967 178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.34 -34.76 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.256 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -96.7 -62.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.175 0.805 . . . . 1.0 113.175 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.619 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 65.4 mmtt -98.74 3.48 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.961 0.726 . . . . 1.0 112.961 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 58.42 29.32 18.08 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.832 -0.347 . . . . 1.0 111.235 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 153.58 41.3 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.8 mmt-85 -80.55 -45.64 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.289 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -129.31 -4.85 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.784 -177.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 38.39 104.46 0.01 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.24 122.07 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 34.9 m -107.28 138.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -130.31 163.98 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.301 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -91.38 133.72 35.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 53.1 p30 -104.71 -177.68 3.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.55 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.93 -30.37 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -80.46 11.47 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 61.3 13.24 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.305 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.6 t30 -92.93 146.82 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.25 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 27.0 mt -84.07 105.67 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -80.34 120.43 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.6 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -81.02 105.94 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.1 mt -105.4 103.0 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.618 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.43 124.91 25.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.498 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.714 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.3 p30 -103.44 146.42 28.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.194 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.638 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.0 m-85 -110.88 96.44 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.195 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.14 -63.63 0.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.733 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 1.0 110.941 -179.108 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.35 . . . . 1.0 110.598 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' HZ1' ' CB ' ' A' ' 50' ' ' ASP . 67.2 mmtt -89.96 130.85 36.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.162 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -141.19 130.47 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.45 138.42 20.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 1.0 111.407 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -120.44 89.89 3.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.281 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 58.4 mp0 -67.04 171.76 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.425 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.14 -3.03 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.919 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.786 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.8 m-85 -111.21 -19.73 0.12 Allowed Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 113.021 0.749 . . . . 1.0 113.021 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 81.4 Cg_exo -45.02 113.38 0.48 Allowed 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 123.229 2.619 . . . . 1.0 109.663 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.619 HG22 ' H ' ' A' ' 15' ' ' LYS . 8.6 p -137.41 146.21 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.53 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -51.18 -36.66 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.0 mmtm -57.57 -26.43 61.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.936 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.549 ' C ' ' H ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -72.74 -18.6 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.214 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -45.55 -14.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.889 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 16' ' ' CYS . 82.0 mt -104.28 107.39 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.274 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.44 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.464 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -80.75 -44.37 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -64.63 -40.33 95.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.308 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 17.1 m -52.37 -59.06 4.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.719 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.8 p-10 -67.22 -45.17 77.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.607 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -59.92 -53.23 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 1.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -64.31 -43.97 93.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.057 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' LYS . 89.1 m -65.71 -43.98 87.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.801 0.334 . . . . 1.0 110.287 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 14.0 mtpp -49.1 -50.96 34.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.075 0.464 . . . . 1.0 109.93 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.19 -32.57 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.206 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -96.95 -63.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.5 mmtt -100.6 1.11 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.948 0.721 . . . . 1.0 112.948 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.4 m80 59.82 67.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.222 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . -104.79 143.69 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 25.7 mmt180 -78.49 -42.87 28.44 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.314 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.8 m -129.55 -7.52 4.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.696 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.703 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 42.15 115.67 0.0 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 30.6 mp0 -125.79 120.36 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 22.7 m -111.31 126.42 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.345 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -119.62 167.4 12.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.338 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 24.5 m-85 -101.52 123.25 45.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.437 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 55.4 p30 -95.46 -164.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.539 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -69.68 -28.9 66.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.71 2.3 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.711 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.33 18.63 9.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.332 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.692 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -100.57 156.67 17.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.269 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 28.9 mt -83.13 105.06 13.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.698 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.692 ' NE2' HD22 ' A' ' 44' ' ' ASN . 92.8 mm-40 -80.42 109.83 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.8 m -74.06 102.75 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.763 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.7 mt -103.31 100.98 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.619 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.9 m -78.94 126.49 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.746 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 8.2 p30 -106.53 145.72 31.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.167 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.486 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.1 m-85 -110.91 95.85 5.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.248 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.539 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 78.02 -65.64 0.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.706 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 1.0 111.024 -179.772 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -98.27 136.54 38.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.196 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.628 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.2 mtmm -146.97 123.06 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.81 136.03 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.499 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -110.58 79.26 1.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.326 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 74.7 mm-40 -63.03 156.24 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.396 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.568 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.37 48.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.88 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 10' ' ' ASN . 6.2 m-85 -155.14 -57.4 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.1 Cg_endo -39.5 136.24 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 123.246 2.631 . . . . 1.0 109.706 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.588 ' O ' ' N ' ' A' ' 16' ' ' CYS . 4.6 p -138.29 163.26 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.533 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.521 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 22.4 m -45.24 -32.53 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.574 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.2 mmtm -69.77 -27.04 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 1.0 109.944 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.619 ' C ' ' H ' ' A' ' 18' ' ' LEU . 94.5 m -67.27 -19.76 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.19 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.1 pt20 -47.98 -9.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.829 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.619 ' H ' ' C ' ' A' ' 16' ' ' CYS . 80.5 mt -106.53 109.28 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.225 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.9 -12.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.432 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -83.67 -49.7 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.07 -36.84 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.365 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 99.1 m -58.85 -59.82 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.778 -178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -65.12 -42.43 93.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.658 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.61 -54.16 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 1.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -62.15 -40.17 95.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.059 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 30' ' ' LYS . 73.0 m -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.33 . . . . 1.0 110.349 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -57.92 -45.1 87.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.014 0.435 . . . . 1.0 109.926 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.46 -40.84 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.139 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.68 -60.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' CYS . 81.1 mttt -84.48 4.91 29.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -177.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' CYS . 72.6 m-70 53.35 16.53 0.88 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.266 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.06 152.06 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -79.12 -42.84 25.34 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.409 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.603 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.7 t -127.17 -7.99 5.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.673 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.603 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.51 100.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -113.91 131.09 56.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.997 -0.372 . . . . 1.0 109.997 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 59.3 m -110.33 137.04 48.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.36 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -129.64 165.07 22.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.243 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.9 m-85 -93.75 130.85 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.345 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.9 p-10 -101.53 -174.71 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.565 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -66.98 -30.18 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.69 5.16 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 62.7 17.72 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.316 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.515 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -108.21 153.07 23.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.252 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.623 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 10.1 mt -81.41 120.59 25.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.692 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 44' ' ' ASN . 82.4 mm-40 -99.06 119.87 38.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.645 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 88.5 m -82.56 104.26 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.796 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 mt -99.37 100.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 95.0 m -77.56 135.35 38.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.544 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.802 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.1 p30 -111.91 143.23 43.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.4 m-85 -113.7 96.7 5.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.225 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 75.07 -35.72 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.697 176.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 51' ' ' TYR . 77.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 1.0 111.005 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 3.5 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.818 0.342 . . . . 1.0 110.477 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -102.63 140.54 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.202 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -141.33 115.26 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.79 131.22 35.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.478 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.624 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.4 m-85 -112.72 85.11 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.315 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 77.6 mm-40 -70.17 161.51 30.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.429 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.555 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 73.12 -0.13 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.914 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.792 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.3 m-85 -110.27 -18.21 0.13 Allowed Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 112.957 0.725 . . . . 1.0 112.957 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -47.18 124.92 9.67 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 123.277 2.651 . . . . 1.0 109.687 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 11' ' ' TYR . 5.5 t -132.71 139.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.551 -0.46 . . . . 1.0 111.501 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -51.53 -29.32 16.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.013 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' A' ' 18' ' ' LEU . 85.0 m -65.7 -22.6 66.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.228 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -43.68 -16.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.893 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.6 mt -100.35 105.67 17.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.289 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.32 -18.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.448 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.644 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -78.99 -49.14 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.946 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -60.29 -39.31 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.391 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 90.1 m -52.23 -60.77 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.767 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.644 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.3 p-10 -68.08 -43.84 77.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.644 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -62.77 -54.2 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -62.7 -43.86 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.022 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.2 m -60.36 -44.38 95.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.747 0.308 . . . . 1.0 110.278 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -55.59 -44.56 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.024 0.44 . . . . 1.0 109.923 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.97 -44.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -98.15 -57.86 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.0 mttp -84.63 -1.47 56.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.915 0.709 . . . . 1.0 112.915 -176.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' CYS . 60.8 m-70 57.5 17.18 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.223 178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.84 154.0 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 64.3 mtt-85 -77.23 -46.58 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.384 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.7 m -128.99 -2.42 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.802 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 36.49 104.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 49.5 mp0 -109.17 123.42 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 8.0 m -106.78 128.67 54.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.375 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -119.54 161.23 20.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.28 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 25.6 m-85 -96.86 127.96 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.413 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 48.5 p-10 -102.84 -169.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -68.8 -31.03 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.431 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -73.97 4.04 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.43 18.71 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.354 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.695 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -100.63 155.68 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.222 179.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 36.7 mt -86.27 104.31 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.695 ' NE2' HD22 ' A' ' 44' ' ' ASN . 83.5 mm-40 -80.0 111.94 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 93.3 m -81.79 106.94 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.744 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.0 mt -105.36 102.8 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.624 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 m -66.59 125.93 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.535 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.859 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.0 p30 -108.54 139.21 43.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.471 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 15.2 m-85 -111.45 95.45 5.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.179 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.471 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.65 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.7 mp0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 1.0 111.011 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.788 0.328 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -90.85 127.71 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.221 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -134.77 136.83 42.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.3 t -79.58 133.64 29.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.45 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.445 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 10.0 m-85 -123.7 79.03 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.283 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 45.7 mp0 -66.15 179.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.16 10.33 3.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.95 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.936 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -147.56 31.94 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.936 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 5.2 Cg_exo -84.08 117.34 2.21 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.267 2.645 . . . . 1.0 109.665 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 t -134.59 140.82 44.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.508 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.2 m -51.79 -33.4 35.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.18 -0.674 . . . . 1.0 109.18 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.42 -27.43 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.97 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.1 m -65.03 -24.91 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -43.1 -17.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.85 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' CYS . 85.2 mt -98.72 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.284 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.95 -16.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.417 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -79.92 -47.46 15.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.47 -39.21 92.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.352 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 95.0 m -52.93 -59.44 4.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.701 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.8 p-10 -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.541 -177.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.7 m-85 -64.85 -51.05 64.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.814 0.34 . . . . 1.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -64.21 -47.26 80.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.7 m -56.79 -45.38 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.317 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -55.25 -41.74 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.024 0.44 . . . . 1.0 109.948 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.1 mt -71.42 -36.31 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.212 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.39 -62.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.625 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 41.2 mmtm -95.56 2.74 54.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.033 0.753 . . . . 1.0 113.033 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 57.24 25.05 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.799 -0.36 . . . . 1.0 111.199 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.09 153.47 37.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mmt-85 -75.28 -43.29 52.03 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.718 -0.393 . . . . 1.0 111.388 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.646 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -131.32 -1.85 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.743 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.646 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.23 103.59 0.01 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 79.1 mm-40 -116.87 131.18 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.042 -0.355 . . . . 1.0 110.042 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 9.9 m -106.8 142.46 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.003 0.43 . . . . 1.0 111.383 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.05 162.42 28.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.315 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -94.38 125.44 39.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 41.6 p-10 -99.65 -169.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 7.1 pm0 -71.04 -29.35 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.481 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.413 ' CB ' ' NZ ' ' A' ' 42' ' ' LYS . 9.1 mtmp? -75.32 4.38 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 61.75 18.87 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.299 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.686 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -103.17 155.85 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.233 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.0 mt -86.31 106.18 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.674 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.686 ' NE2' HD22 ' A' ' 44' ' ' ASN . 78.2 mm-40 -83.39 119.33 24.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.608 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 32.9 m -78.42 104.56 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.756 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.2 mt -105.01 106.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.6 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 61.1 m -73.43 125.11 27.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.539 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.716 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.4 p30 -103.58 146.84 27.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.2 m-85 -109.78 97.2 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.244 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.477 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.55 -63.11 0.39 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.712 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 1.0 110.953 -179.632 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -92.42 136.78 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.181 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -140.93 127.52 20.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -84.1 132.41 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.431 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.75 89.27 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.323 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 70.5 mm-40 -68.88 173.8 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.438 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 71.84 -1.75 2.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.835 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.805 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.6 m-85 -113.78 -14.97 0.11 Allowed Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 112.942 0.719 . . . . 1.0 112.942 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.805 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.9 Cg_exo -48.41 118.87 3.58 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 123.266 2.644 . . . . 1.0 109.712 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 11' ' ' TYR . 13.9 t -132.62 141.39 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.52 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 m -49.81 -32.52 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.431 ' H ' HG13 ' A' ' 13' ' ' VAL . 62.7 mttp -62.74 -27.98 69.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.609 -0.723 . . . . 1.0 109.986 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 18' ' ' LEU . 70.9 m -63.85 -18.46 64.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.178 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -43.38 -16.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 1.0 109.874 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -103.3 104.2 14.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.215 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.97 -15.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.521 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.576 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -81.65 -42.36 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.022 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' LEU . 70.4 mm-40 -64.39 -41.21 96.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.375 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 5.7 m -54.94 -59.7 4.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.733 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.576 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.7 p-10 -63.95 -42.83 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.619 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -65.53 -48.0 73.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 1.0 110.88 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.4 -43.9 96.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.122 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.9 m -57.44 -45.3 84.85 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.303 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -54.8 -42.61 72.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.888 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -39.15 72.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.192 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -96.97 -61.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.631 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 62.1 mmtt -92.32 4.11 54.02 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -176.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' CYS . 61.8 m-70 57.94 17.46 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.288 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 173.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.854 -0.425 . . . . 1.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -100.28 -68.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.344 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' ' O ' ' A' ' 35' ' ' GLY . 6.9 t -130.31 31.73 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.773 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -40.16 170.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 51.8 mp0 -146.09 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 m -110.31 135.62 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.347 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -123.22 163.63 20.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.305 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -96.58 130.91 43.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.442 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 43.3 p-10 -104.9 -163.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 2.2 pm0 -74.18 -33.17 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.501 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -73.88 5.97 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 60.56 18.44 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.335 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.674 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -98.67 155.29 17.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.289 179.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 20.4 mt -86.18 102.73 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.684 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.674 ' NE2' HD22 ' A' ' 44' ' ' ASN . 72.3 mm-40 -79.26 115.44 18.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.609 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 m -81.58 111.76 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.8 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mt -106.17 102.79 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.579 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.7 m -73.54 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.551 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.735 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 7.4 p30 -106.74 146.55 30.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.239 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.481 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.9 m-85 -111.49 98.42 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.201 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.37 -59.64 0.46 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.741 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 1.0 110.935 -179.254 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.496 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.0 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.768 0.318 . . . . 1.0 110.526 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -90.67 131.29 36.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.181 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -140.28 130.7 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.48 131.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.439 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -114.87 78.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.33 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 77.6 mm-40 -62.76 172.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.481 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.552 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.83 10.37 3.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.905 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.952 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 57.8 m-85 -142.87 29.02 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.966 0.728 . . . . 1.0 112.966 179.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.952 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.3 Cg_endo -86.67 117.33 1.43 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 123.323 2.682 . . . . 1.0 109.635 176.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 t -135.52 145.31 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.415 . . . . 1.0 111.497 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -52.03 -34.13 41.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.29 -27.43 64.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.981 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' LEU . 33.8 m -63.62 -26.75 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.22 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -43.61 -16.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.959 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.9 mt -99.74 102.09 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.09 -15.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.671 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -81.63 -46.52 14.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -62.46 -39.18 92.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.344 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.572 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 77.8 m -55.65 -58.66 6.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.717 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.671 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.07 -42.54 84.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.588 -177.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.1 m-85 -66.01 -52.36 50.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 1.0 110.844 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -62.59 -45.1 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.037 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.2 m -57.97 -44.28 86.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.333 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -55.69 -42.15 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 1.0 109.906 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.28 -37.61 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.205 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -98.02 -61.93 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -177.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 36.7 mmtm -93.59 4.11 54.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' CYS . 29.8 m80 55.93 21.01 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.279 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 150.67 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.662 ' HE ' ' N ' ' A' ' 52' ' ' CYS . 57.4 mtt-85 -72.7 -46.36 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.729 -0.388 . . . . 1.0 111.447 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.694 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.3 t -129.61 -1.52 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.754 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.694 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 28.76 105.99 0.0 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 22.5 mp0 -116.74 132.91 56.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.004 -0.369 . . . . 1.0 110.004 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.572 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 9.6 m -107.06 140.65 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.428 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -126.73 161.27 28.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.293 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 10.7 m-85 -96.58 123.72 40.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.94 -176.51 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.525 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -63.65 -29.26 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -76.86 5.3 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.572 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 61.51 18.39 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.317 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.56 151.81 20.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.247 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 24.0 mt -89.14 105.09 17.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 1.0 110.718 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 9' ' ' GLU . 63.9 mm-40 -87.31 125.78 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.602 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.8 m -83.3 108.21 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.706 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.0 mt -105.36 104.48 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.571 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.3 m -77.15 132.71 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.551 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.755 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.5 p30 -108.87 146.0 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.63 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 12.6 m-85 -113.49 98.77 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.243 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.662 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 3.7 m 79.65 -71.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.718 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.496 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 36.8 mp0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 1.0 110.999 -179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.77 0.319 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -87.88 136.36 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.217 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -142.22 123.86 15.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.35 138.92 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.458 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -118.4 90.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.358 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -70.99 165.35 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 70.26 -0.0 3.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.114 -0.494 . . . . 1.0 109.939 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.785 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.6 m-85 -111.78 -17.08 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 113.002 0.741 . . . . 1.0 113.002 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 77.3 Cg_exo -47.1 125.39 10.14 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.274 2.649 . . . . 1.0 109.645 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.1 t -132.73 143.12 40.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.651 -0.42 . . . . 1.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -51.02 -29.61 12.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -66.95 -26.14 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.0 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' LEU . 82.2 m -59.61 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -45.57 -15.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 1.0 109.908 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.5 mt -104.55 101.72 11.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.293 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.72 -14.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.42 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.705 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 89.1 m-20 -84.42 -45.7 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.916 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -62.49 -40.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.326 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -58.6 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.79 -178.019 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.705 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.3 p-10 -63.67 -43.12 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.653 -177.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.99 -53.46 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 1.0 110.888 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -61.91 -43.99 97.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 68.6 m -58.34 -45.87 87.31 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.291 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.57 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 36.3 mttp -52.79 -42.05 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 1.0 109.935 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -71.08 -44.12 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.35 -60.08 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.087 0.773 . . . . 1.0 113.087 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 26' ' ' CYS . 47.0 mttp -84.76 -1.86 56.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -176.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' CYS . 28.1 m80 57.29 20.58 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.86 -0.336 . . . . 1.0 111.219 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.26 151.65 47.12 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.57 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 31.4 mmt180 -81.87 -37.59 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.789 -0.364 . . . . 1.0 111.333 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.622 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -131.38 -7.09 3.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.742 -178.605 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.7 103.01 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 34.9 mp0 -106.52 136.56 46.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -112.29 136.23 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.385 -179.445 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -132.34 161.56 33.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.315 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.83 134.02 37.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.433 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -105.64 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.636 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -66.39 -30.23 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.625 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -80.06 11.03 3.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.659 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 61.06 14.08 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.301 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.459 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -93.65 151.71 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.206 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.1 mt -87.08 104.57 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.728 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -78.58 113.29 16.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.588 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.99 102.0 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.2 mt -98.73 101.26 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.573 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 81.8 m -78.75 134.25 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.519 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.756 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.8 p30 -106.44 147.11 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.9 m-85 -112.1 99.23 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.257 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.488 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.5 m 79.02 -56.75 0.44 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.694 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 1.0 110.945 -179.007 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.855 0.36 . . . . 1.0 110.584 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -131.97 141.28 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.226 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -152.09 124.0 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.39 140.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.45 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.476 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 18.6 m-85 -118.34 90.46 3.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 56.2 mp0 -71.61 163.04 28.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.439 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.31 2.88 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 1.0 109.933 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.782 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 16.4 m-85 -114.2 -19.75 0.11 Allowed Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 113.044 0.757 . . . . 1.0 113.044 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -46.36 115.91 1.34 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 123.276 2.65 . . . . 1.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.571 HG11 ' H ' ' A' ' 15' ' ' LYS . 85.3 t -133.6 145.04 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.545 -0.462 . . . . 1.0 111.452 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.9 t -49.8 -39.9 39.86 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.571 ' H ' HG11 ' A' ' 13' ' ' VAL . 25.2 pttt -54.99 -26.67 38.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.041 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.1 m -65.4 -25.21 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.241 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -43.94 -16.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.892 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.7 mt -100.39 104.53 15.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.301 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.14 -18.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.404 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.647 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -78.01 -50.15 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.928 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -59.94 -38.47 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.264 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 84.3 m -51.67 -61.62 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.755 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.647 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.5 p-10 -68.38 -43.94 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.608 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.6 m-85 -62.27 -54.24 43.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 1.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -62.7 -44.41 96.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.112 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.592 ' O ' ' N ' ' A' ' 30' ' ' LYS . 64.9 m -58.68 -43.38 89.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.294 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 41.0 mttm -56.27 -42.9 78.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 1.0 109.9 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.85 -43.75 71.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.189 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -98.4 -57.92 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.141 0.793 . . . . 1.0 113.141 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.4 mttp -86.07 -3.63 58.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.018 0.747 . . . . 1.0 113.018 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.1 m-70 58.07 19.43 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.19 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.37 156.1 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.54 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 85.9 mtt-85 -83.67 -40.99 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.726 -0.389 . . . . 1.0 111.293 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.612 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -129.9 -4.26 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.771 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.612 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.87 102.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 78.3 mm-40 -111.49 124.34 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 9.6 m -107.0 138.83 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.335 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -129.47 163.88 24.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.271 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -94.37 132.34 39.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -103.87 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.67 -30.37 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.72 9.68 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.57 16.97 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.305 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -95.19 150.51 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.243 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.92 104.02 15.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.696 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -78.89 112.93 16.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.636 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 m -78.6 103.82 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.761 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -104.65 101.87 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.588 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.476 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 64.6 m -70.18 127.84 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.52 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.748 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 8.2 p30 -111.92 144.94 40.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.109 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.423 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 16.6 m-85 -112.38 94.55 4.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.205 177.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 2.9 m 72.02 -69.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.71 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.918 -179.068 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.875 0.369 . . . . 1.0 110.584 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -93.26 134.15 35.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.471 ' CB ' ' HZ2' ' A' ' 6' ' ' LYS . 9.7 mtmp? -143.31 134.87 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.15 139.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.454 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -119.22 87.56 2.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.314 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 57.1 mp0 -66.95 165.04 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.425 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.545 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.12 0.92 3.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.871 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.788 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 28.6 m-85 -115.88 -19.99 0.1 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.788 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.6 Cg_exo -46.8 116.28 1.59 Allowed 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 123.248 2.632 . . . . 1.0 109.643 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.7 m -138.05 149.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.627 -0.429 . . . . 1.0 111.527 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 25.5 t -54.64 -25.2 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.59 -29.93 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.058 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' LEU . 56.2 m -68.6 -20.76 64.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.8 pt20 -44.79 -15.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 1.0 109.927 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -104.19 105.18 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.324 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.58 -16.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.474 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.651 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.4 m-20 -81.06 -47.14 13.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.973 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -61.17 -39.01 88.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.328 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 68.1 m -54.52 -59.99 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.73 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.651 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.19 -42.74 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.63 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -65.0 -53.65 42.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 1.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.36 -44.76 95.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.076 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.3 m -58.72 -44.2 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 1.0 110.348 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.3 mtpm? -55.31 -42.9 74.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.984 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.91 -43.64 67.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.138 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -97.96 -59.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.2 mttp -84.85 -0.89 55.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . 63.2 m-70 57.17 17.46 3.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.768 -0.373 . . . . 1.0 111.27 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.48 152.41 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.09 -40.74 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.778 -0.369 . . . . 1.0 111.344 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.636 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -128.72 -7.11 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.734 -178.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.02 102.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -115.35 133.46 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.06 -0.348 . . . . 1.0 110.06 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 23.2 m -110.5 141.76 43.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 1.0 111.361 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -131.29 165.24 23.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.318 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 28.7 m-85 -97.84 130.55 44.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.383 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 52.5 p-10 -107.17 -169.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.508 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -68.63 -30.31 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.493 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -74.6 6.3 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.608 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 58.9 15.2 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.322 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.684 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -99.82 155.66 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.197 179.452 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -85.45 104.44 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.701 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.684 ' NE2' HD22 ' A' ' 44' ' ' ASN . 88.6 mm-40 -79.64 116.37 19.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.624 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.8 m -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.782 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.0 mt -102.91 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.634 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.4 ' SG ' ' CD ' ' A' ' 30' ' ' LYS . 78.7 m -77.72 132.31 38.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.564 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.723 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 7.9 p30 -106.1 146.41 30.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.191 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.484 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.1 m-85 -111.99 97.43 6.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.484 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 77.83 -65.12 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.717 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.0 111.005 -178.72 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 1.0 110.551 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.47 130.03 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.174 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -138.19 128.52 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.36 136.21 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.469 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 9' ' ' GLU . 13.8 m-85 -135.05 79.31 1.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.338 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.576 ' O ' ' N ' ' A' ' 11' ' ' TYR . 40.9 mp0 -60.45 -141.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.432 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 47.5 m-20 42.97 16.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.958 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.88 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 32.0 m-85 -153.37 32.94 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 112.99 0.737 . . . . 1.0 112.99 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.88 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.2 Cg_endo -90.06 115.17 0.56 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.303 2.669 . . . . 1.0 109.689 176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 t -137.7 146.32 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.515 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.4 p -54.14 -30.62 49.73 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -63.89 -29.33 70.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.037 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.0 m -65.08 -19.85 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -42.62 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.869 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 71.7 mt -96.51 103.87 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.376 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.2 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.501 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.573 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.53 -45.26 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 63.3 mm-40 -62.2 -40.46 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.34 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 4.0 m -53.55 -60.51 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.734 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.573 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.4 p-10 -65.42 -43.99 88.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.42 -0.355 . . . . 1.0 111.583 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.16 -48.14 79.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 1.0 110.838 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.81 -43.69 97.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.054 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.603 ' O ' ' N ' ' A' ' 30' ' ' LYS . 94.1 m -57.65 -45.75 85.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.817 0.341 . . . . 1.0 110.365 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -54.85 -44.64 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.046 0.451 . . . . 1.0 109.996 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.14 -39.14 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.08 -59.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.132 0.79 . . . . 1.0 113.132 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' A' ' 26' ' ' CYS . 65.8 mmtt -93.8 3.33 55.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.002 0.742 . . . . 1.0 113.002 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' CYS . 26.7 m80 57.94 19.47 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.265 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.45 176.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.884 -0.413 . . . . 1.0 109.884 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 80.4 mtt-85 -99.1 -69.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.779 -0.368 . . . . 1.0 111.375 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.576 ' O ' ' O ' ' A' ' 35' ' ' GLY . 58.8 m -131.51 31.6 4.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.741 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -39.36 168.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 51.0 mp0 -145.64 161.09 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.7 m -106.38 135.62 47.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.408 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -122.13 161.89 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.236 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -93.78 126.64 39.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.458 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -94.83 -168.56 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.524 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -67.83 -34.63 77.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.05 9.6 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 61.85 18.58 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.04 149.21 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.288 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.5 mt -83.53 102.56 12.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.77 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -86.11 122.04 29.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.611 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 57.6 m -83.64 114.58 21.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.751 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -109.55 109.55 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.3 m -73.67 124.96 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.755 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.0 p30 -104.8 146.51 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.181 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 m-85 -110.34 97.92 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.203 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.42 -70.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.702 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 1.0 110.961 -179.082 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.811 0.338 . . . . 1.0 110.549 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.18 -36.95 73.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.493 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.3 m -93.79 -1.54 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.578 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.09 141.44 48.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -143.11 113.97 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.537 -0.542 . . . . 1.0 109.537 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.426 ' CG1' ' OE2' ' A' ' 9' ' ' GLU . 15.6 t -82.38 129.33 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.458 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.48 ' CE2' ' SG ' ' A' ' 49' ' ' CYS . 59.3 m-85 -115.06 77.8 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.282 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.426 ' OE2' ' CG1' ' A' ' 7' ' ' VAL . 53.6 mp0 -63.61 -9.88 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 m-20 -91.27 17.92 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.818 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -152.58 41.21 0.19 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 112.962 0.727 . . . . 1.0 112.962 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.818 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.1 Cg_endo -89.09 116.99 0.79 Allowed 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.246 2.631 . . . . 1.0 109.652 176.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.41 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -134.61 140.97 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.508 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -53.58 -32.26 50.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' H ' HG12 ' A' ' 13' ' ' VAL . 89.8 mttt -58.98 -26.73 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.019 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.3 m -65.66 -24.74 67.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.201 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -42.26 -18.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.885 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 84.8 mt -97.52 105.14 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.287 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.8 -18.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.646 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -78.59 -48.42 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.984 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -60.85 -39.39 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.373 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 92.4 m -51.92 -60.52 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.734 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.646 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.4 p-10 -68.59 -42.69 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.632 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -64.2 -52.92 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 1.0 110.788 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -63.22 -46.22 88.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.066 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 75.1 m -57.82 -45.33 86.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.324 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -55.22 -41.84 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.074 0.464 . . . . 1.0 109.904 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.16 -37.07 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -97.39 -61.18 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 54.6 mmtt -96.34 6.21 49.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.978 0.733 . . . . 1.0 112.978 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.1 m80 52.82 27.62 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.227 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.99 152.04 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' NH1' ' SG ' ' A' ' 52' ' ' CYS . 78.2 mtt180 -76.05 -41.85 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.74 -0.384 . . . . 1.0 111.401 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.613 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -130.14 -3.64 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.711 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.613 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.64 101.53 0.01 OUTLIER Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -116.71 129.18 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.578 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 17.0 m -104.51 141.19 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.416 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.1 m-85 -128.34 160.63 31.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.273 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 21.5 m-85 -93.73 125.94 38.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 46.6 p-10 -99.44 -171.42 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.574 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 53.0 mp0 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -73.65 4.08 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.41 19.52 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.359 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.686 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -103.8 155.15 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.193 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.3 mt -85.95 107.7 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.737 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.686 ' NE2' HD22 ' A' ' 44' ' ' ASN . 59.9 mm-40 -87.66 122.35 31.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.609 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.502 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 84.5 m -80.63 107.99 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.734 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.7 mt -108.65 103.41 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.648 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.48 ' SG ' ' CE2' ' A' ' 8' ' ' TYR . 35.1 m -68.22 126.49 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.529 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.843 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.3 p30 -108.82 139.15 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.167 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.443 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 20.3 m-85 -112.27 94.7 5.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.27 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.589 ' SG ' ' NH1' ' A' ' 33' ' ' ARG . 3.0 m 73.38 -69.12 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.725 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.6 mp0 -70.77 144.06 51.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 1.0 110.993 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.52 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.779 0.323 . . . . 1.0 110.644 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -61.9 -25.85 67.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.515 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m -51.75 -24.74 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.562 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HZ1' ' CG2' ' A' ' 48' ' ' ILE . 16.4 mmmt -97.26 134.82 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.189 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.571 ' NZ ' ' HH ' ' A' ' 8' ' ' TYR . 9.7 mtmp? -140.49 123.01 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.67 129.86 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.466 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.571 ' HH ' ' NZ ' ' A' ' 6' ' ' LYS . 36.3 m-85 -107.12 76.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.315 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 52.4 mp0 -62.84 -9.22 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.39 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.529 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.0 m-20 -91.32 18.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 1.0 109.908 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.824 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 71.3 m-85 -153.02 40.94 0.18 Allowed Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.94 0.718 . . . . 1.0 112.94 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.824 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.1 Cg_endo -87.47 117.06 1.19 Allowed 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.22 2.614 . . . . 1.0 109.636 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.7 t -134.49 143.02 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.535 -177.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -51.69 -33.95 36.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 35.3 mtmm -59.44 -27.02 65.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.666 -0.697 . . . . 1.0 109.966 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 55.5 m -63.43 -24.95 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.18 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -44.25 -15.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.86 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.8 mt -101.47 103.49 14.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.289 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.8 -15.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.441 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.662 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -80.32 -47.66 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -61.51 -38.52 87.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.346 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 29.6 m -53.76 -60.08 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.689 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.662 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.8 p-10 -67.65 -42.05 82.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 1.0 111.603 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.409 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -65.26 -53.54 42.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.834 0.35 . . . . 1.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -62.21 -44.95 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 1.0 111.111 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 30' ' ' LYS . 65.9 m -57.35 -44.06 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.347 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 47.0 mttm -56.34 -40.68 74.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.126 0.488 . . . . 1.0 110.009 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.28 -39.47 71.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.185 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -98.57 -61.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.115 0.783 . . . . 1.0 113.115 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.636 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 39.5 mmtm -90.8 2.98 55.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.98 0.733 . . . . 1.0 112.98 -177.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' CYS . 23.1 m80 53.93 21.12 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.841 -0.343 . . . . 1.0 111.211 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.42 153.77 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.522 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 20.5 mmt85 -78.88 -41.22 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.371 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.638 ' O ' ' O ' ' A' ' 35' ' ' GLY . 4.5 t -128.87 -4.02 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.755 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.638 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 22.95 102.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.56 134.59 54.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.992 -0.373 . . . . 1.0 109.992 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 66.3 m -107.68 143.65 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.446 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -132.66 163.92 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.285 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -90.08 130.37 36.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.393 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.0 p30 -99.76 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.511 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.5 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -79.92 10.19 4.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.582 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 61.2 17.38 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.299 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -97.14 151.34 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.241 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.4 mt -87.49 105.73 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -87.64 125.92 34.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.594 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 59.6 m -82.57 106.19 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.742 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.414 ' CG2' ' HZ1' ' A' ' 5' ' ' LYS . 24.7 mt -98.62 102.18 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -83.14 135.63 34.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.571 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.786 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 6.1 p30 -114.81 143.99 44.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.197 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' C ' ' H ' ' A' ' 53' ' ' GLU . 10.7 m-85 -113.5 95.39 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.232 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' SG ' ' NH2' ' A' ' 33' ' ' ARG . 3.3 m 71.84 -29.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.767 177.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' A' ' 51' ' ' TYR . 79.0 mm-40 -126.31 121.59 33.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.006 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.581 179.626 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.337 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -85.35 148.53 25.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 m -53.54 -27.79 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.21 128.04 36.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.158 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.3 mtmm -135.55 130.68 34.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.66 135.51 27.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.427 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.597 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 11.0 m-85 -132.31 77.45 1.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.325 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 11' ' ' TYR . 38.9 mp0 -63.24 -142.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.428 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.561 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 39.6 m-20 45.67 13.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.851 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.858 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-85 -153.86 36.1 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 113.013 0.746 . . . . 1.0 113.013 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.858 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.7 Cg_endo -88.01 115.68 0.96 Allowed 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 123.271 2.647 . . . . 1.0 109.697 175.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.4 t -136.02 145.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.654 -0.419 . . . . 1.0 111.501 -177.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.447 ' HG ' ' N ' ' A' ' 15' ' ' LYS . 86.2 p -54.44 -33.17 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' N ' ' HG ' ' A' ' 14' ' ' SER . 9.4 mtmp? -59.66 -27.12 66.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.052 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 38.7 m -64.33 -24.69 67.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -43.33 -17.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 1.0 109.893 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 86.3 mt -98.12 104.67 16.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.71 -17.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.422 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.667 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -79.44 -47.01 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -61.29 -38.62 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.343 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 36.1 m -54.44 -58.98 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.771 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.667 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 7.2 p-10 -67.81 -43.46 79.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.606 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.474 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -64.08 -53.09 55.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.333 . . . . 1.0 110.882 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.31 -45.15 94.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.045 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 61.4 m -56.63 -45.46 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 1.0 110.348 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -56.21 -42.09 76.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 1.0 109.914 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -37.75 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -97.28 -61.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.652 ' NZ ' ' CD1' ' A' ' 11' ' ' TYR . 36.6 mmtm -94.66 1.58 55.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.95 0.722 . . . . 1.0 112.95 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 m80 56.95 22.46 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.306 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 159.75 15.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.69 -45.79 20.55 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.307 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -130.68 -2.94 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.687 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 34.02 103.79 0.01 OUTLIER Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -113.73 127.02 55.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.096 -0.335 . . . . 1.0 110.096 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.566 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 45.4 m -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.443 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -127.59 161.87 27.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.277 179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 35.9 m-85 -92.4 130.87 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.447 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.1 p30 -99.05 -177.86 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.548 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.42 -30.59 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.577 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -79.4 9.4 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.638 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.66 17.27 8.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.392 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.428 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -95.19 150.81 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.19 179.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -86.96 106.01 17.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.651 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -88.18 123.98 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.637 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 38.9 m -82.92 109.59 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.737 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.7 mt -106.65 108.1 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.597 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 59.6 m -70.94 123.47 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.69 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.8 p30 -103.41 147.29 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 8.0 m-85 -110.37 96.85 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.233 178.422 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 76.38 -64.19 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.695 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -79.77 114.54 18.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 1.0 110.949 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.547 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.5 p30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.777 0.322 . . . . 1.0 110.598 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -87.16 146.37 26.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.544 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m -56.69 -26.53 56.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.589 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -91.75 131.54 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.201 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.633 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -139.52 135.27 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.56 137.3 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.441 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -126.02 82.17 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 58.1 mp0 -60.72 172.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.392 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.06 -0.99 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.918 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.847 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.8 m-85 -126.4 3.71 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 113.019 0.748 . . . . 1.0 113.019 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.847 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.2 Cg_endo -79.45 119.1 4.04 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.295 2.663 . . . . 1.0 109.7 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' CYS . 7.1 t -135.84 149.57 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.576 -0.449 . . . . 1.0 111.464 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -50.11 -34.03 20.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' NZ ' ' CB ' ' A' ' 15' ' ' LYS . 9.5 mtmp? -60.46 -27.25 67.4 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.026 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 18' ' ' LEU . 49.1 m -65.6 -22.19 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.131 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -43.35 -16.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 1.0 109.911 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -97.64 102.6 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.313 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.16 -15.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.463 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -80.88 -47.12 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.957 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -62.34 -39.08 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.311 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 71.3 m -54.72 -59.21 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.751 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.4 p-10 -67.46 -42.2 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.563 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.8 m-85 -65.91 -52.8 46.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 1.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.56 -45.63 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.075 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.563 ' O ' ' N ' ' A' ' 30' ' ' LYS . 81.4 m -58.14 -44.4 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.329 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -54.89 -42.62 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 1.0 109.912 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.38 -33.19 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.7 -0.682 . . . . 1.0 111.182 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -97.17 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' NZ ' ' CZ ' ' A' ' 11' ' ' TYR . 43.7 mmtm -101.84 11.39 38.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.956 0.724 . . . . 1.0 112.956 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 51.07 30.79 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.847 -0.341 . . . . 1.0 111.209 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.71 149.93 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.456 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 59.5 mmt-85 -75.07 -42.26 57.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.371 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.682 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -129.55 -6.33 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.714 -178.207 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 26.43 105.98 0.0 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -126.09 141.48 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 34.2 m -110.03 141.58 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 1.0 111.367 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.3 m-85 -127.47 162.94 25.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.253 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -93.44 125.45 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.446 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 53.9 p-10 -101.82 -169.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.565 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 48.5 mp0 -67.8 -30.9 70.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.501 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.67 3.02 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 60.92 19.68 10.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.266 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.679 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -107.46 156.08 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.227 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 23.6 mt -83.32 106.86 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.693 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.679 ' NE2' HD22 ' A' ' 44' ' ' ASN . 80.2 mm-40 -85.89 123.31 31.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.7 m -79.27 105.45 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.711 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.2 mt -106.43 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.599 179.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.7 m -75.49 128.02 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.571 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.717 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.2 p30 -103.14 146.74 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.121 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.633 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.2 m-85 -111.38 96.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 77.86 -65.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.769 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -79.66 125.34 29.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 1.0 111.02 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 54' ' ' TYR . 28.7 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.574 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.9 p30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.785 0.326 . . . . 1.0 110.568 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.87 -36.05 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.568 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.9 m -80.33 14.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.55 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' NZ ' ' C ' ' A' ' 54' ' ' TYR . 68.4 mmtt -130.56 138.6 50.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.21 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.6 mtmm -147.84 122.38 9.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -84.33 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.418 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.03 84.25 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.325 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 72.0 mm-40 -65.02 165.21 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.405 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.18 1.64 3.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.868 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.794 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 29.8 m-85 -115.44 -17.66 0.1 Allowed Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 113.023 0.749 . . . . 1.0 113.023 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 87.4 Cg_exo -44.6 115.7 0.9 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.203 2.602 . . . . 1.0 109.72 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.634 HG23 ' H ' ' A' ' 15' ' ' LYS . 10.9 p -137.36 149.71 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.559 -0.456 . . . . 1.0 111.492 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -55.02 -34.63 63.66 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.634 ' H ' HG23 ' A' ' 13' ' ' VAL . 49.7 mtmt -58.71 -27.59 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.062 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.558 ' C ' ' H ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -69.64 -21.24 63.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.246 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -45.44 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.83 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.558 ' H ' ' C ' ' A' ' 16' ' ' CYS . 10.7 mt -105.78 107.0 17.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.264 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.34 -17.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.479 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -80.3 -45.27 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.976 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.51 -40.49 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.348 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 7.1 m -52.17 -59.38 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.756 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.2 p-10 -67.19 -44.73 78.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.602 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.71 -52.96 62.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.64 -44.11 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.086 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.635 ' O ' ' N ' ' A' ' 30' ' ' LYS . 93.9 m -64.41 -42.38 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 1.0 110.327 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -52.83 -46.05 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.933 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.24 -35.16 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.226 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -97.38 -61.58 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 39.5 mmtm -96.86 -0.8 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.967 0.728 . . . . 1.0 112.967 -176.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 26' ' ' CYS . 27.5 m-70 61.78 35.68 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.773 -0.371 . . . . 1.0 111.251 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.53 153.5 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 mmt-85 -84.73 -50.57 7.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.334 -178.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.562 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m -127.89 -1.43 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.72 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 55.32 137.9 0.0 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 35' ' ' GLY . 70.6 mm-40 -143.91 106.55 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 8.4 m -108.88 132.71 53.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.374 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -127.93 161.67 28.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.258 179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -94.13 131.94 39.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.42 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.1 p30 -101.73 -178.64 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.533 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.53 -29.23 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -80.03 9.03 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.59 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 62.65 13.72 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.289 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.477 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -91.96 150.69 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.195 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 mt -86.58 106.63 17.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.747 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 93.3 mm-40 -77.4 113.68 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.622 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.83 101.35 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.3 mt -107.06 103.95 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.573 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 130.27 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.52 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.747 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 8.1 p30 -108.99 145.51 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.222 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.9 m-85 -112.54 94.61 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.224 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.0 m 72.93 -71.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.72 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 50.6 mp0 -71.93 115.64 11.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 1.0 110.996 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' C ' ' NZ ' ' A' ' 5' ' ' LYS . 92.4 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.57 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.0 p30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.334 . . . . 1.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.517 ' C ' ' H ' ' A' ' 5' ' ' LYS . 32.2 mmtm -80.7 161.89 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.54 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' SG ' ' C ' ' A' ' 3' ' ' LYS . 2.3 m 70.48 -11.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.551 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.517 ' H ' ' C ' ' A' ' 3' ' ' LYS . 41.3 mmtm -99.01 135.57 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.177 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -149.21 121.9 8.64 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -84.04 141.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.372 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -114.12 89.41 3.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.322 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -71.65 162.12 29.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.425 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 70.9 1.52 3.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 1.0 109.822 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.796 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.5 m-85 -111.81 -17.18 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 112.981 0.734 . . . . 1.0 112.981 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 79.1 Cg_exo -46.7 126.33 10.59 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 123.257 2.638 . . . . 1.0 109.591 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 HG21 ' O ' ' A' ' 11' ' ' TYR . 5.6 t -133.0 141.45 44.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.485 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 t -51.29 -30.48 18.14 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -64.67 -26.24 68.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.038 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 75.1 m -64.14 -24.0 67.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.237 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -44.89 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.929 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.0 mt -104.25 105.3 15.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.299 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.38 -16.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.43 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.637 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -80.49 -49.77 10.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -60.42 -38.2 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.387 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.575 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 78.5 m -54.22 -60.58 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.747 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.637 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.29 -42.32 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.6 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -64.93 -54.07 36.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 1.0 110.805 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.3 -43.82 97.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.105 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.8 m -59.61 -43.21 93.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.216 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -56.48 -43.12 79.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 109.918 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.98 -43.4 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -98.45 -59.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' CYS . 49.4 mttp -83.34 0.73 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.016 0.747 . . . . 1.0 113.016 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 26' ' ' CYS . 25.1 m80 55.8 16.3 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.28 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.74 154.31 41.06 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.077 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.2 mmt85 -81.27 -42.27 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.323 -179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -127.43 -7.47 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.727 -178.387 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.06 101.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -112.62 128.53 56.4 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.016 -0.365 . . . . 1.0 110.016 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.575 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 20.0 m -108.59 140.4 42.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 1.0 111.406 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -130.19 162.8 28.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.302 179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -92.06 130.74 37.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 54.1 p30 -103.64 -175.58 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.588 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.7 -30.3 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.522 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -79.37 8.95 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.58 17.23 8.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.309 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -96.9 151.78 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.24 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.3 mt -86.42 103.79 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.641 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -78.39 113.17 16.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 m -77.8 100.88 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.795 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 25.3 mt -98.16 101.33 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.594 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 76.7 m -79.33 135.79 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.523 -179.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.754 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 6.8 p30 -111.99 145.13 40.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.201 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.5 ' C ' ' H ' ' A' ' 53' ' ' GLU . 15.1 m-85 -113.81 95.55 5.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.181 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.433 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.1 m 73.45 -26.99 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.679 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' A' ' 51' ' ' TYR . 78.0 mm-40 -130.84 115.36 16.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.948 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.441 ' CA ' ' HZ3' ' A' ' 5' ' ' LYS . 43.9 p90 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.534 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 53.7 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.769 0.319 . . . . 1.0 110.517 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 64.8 mttp -58.22 -34.39 70.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m -55.53 -23.62 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.541 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' HZ1' ' CB ' ' A' ' 50' ' ' ASP . 66.1 mmtt -96.82 134.23 40.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.216 -179.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.641 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.5 mtmm -138.84 123.38 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.92 139.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.091 0.472 . . . . 1.0 111.423 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.521 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 9.1 m-85 -115.17 87.46 2.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.345 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 78.3 mm-40 -72.65 158.94 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.463 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 72.47 5.54 5.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.852 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.793 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 13.2 m-85 -116.74 -17.1 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 112.987 0.736 . . . . 1.0 112.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 76.1 Cg_exo -46.77 122.43 5.99 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.27 2.647 . . . . 1.0 109.632 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG22 ' O ' ' A' ' 11' ' ' TYR . 11.6 t -132.51 142.76 41.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.506 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -51.47 -32.94 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' H ' HG13 ' A' ' 13' ' ' VAL . 98.3 mttt -60.67 -26.53 67.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.928 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.5 m -64.51 -25.16 67.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -44.25 -16.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 16' ' ' CYS . 11.7 mt -101.97 104.23 14.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.322 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.0 -18.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.442 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -79.19 -48.96 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.934 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -60.31 -38.17 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.407 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 92.1 m -53.3 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.756 -0.657 . . . . 1.0 111.762 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -67.95 -44.3 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.621 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.5 m-85 -62.11 -52.56 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -64.05 -43.94 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.608 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.1 m -60.9 -42.91 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.314 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 44.4 mttm -56.78 -43.77 81.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.02 0.438 . . . . 1.0 109.963 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.46 -42.97 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -98.65 -57.49 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.055 0.761 . . . . 1.0 113.055 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 26' ' ' CYS . 84.6 mttt -87.83 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' CYS . 21.8 m80 55.92 22.5 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.848 -0.341 . . . . 1.0 111.266 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.38 155.74 38.21 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 179.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.541 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 23.4 mmt85 -81.14 -42.17 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.72 -0.392 . . . . 1.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.605 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -130.15 -4.06 4.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.727 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 30.24 100.72 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -113.69 128.47 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 14.0 m -107.21 140.91 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.378 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 83.3 m-85 -127.24 160.6 30.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.32 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 16.6 m-85 -97.89 128.16 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -103.97 -174.42 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.538 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.44 -29.75 69.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -76.25 6.79 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.559 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 60.3 14.02 4.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.438 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -94.01 150.1 20.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.159 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 35.1 mt -87.04 104.08 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.71 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 94.4 mm-40 -80.6 112.94 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.582 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.549 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 94.3 m -80.25 105.77 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 60.2 mt -105.45 101.9 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.585 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.521 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 65.7 m -70.63 130.49 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.532 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.815 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 6.3 p30 -109.64 141.49 42.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.227 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.641 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 10.9 m-85 -110.37 96.13 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.243 177.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 75.92 -69.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.72 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -67.46 135.39 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.955 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.531 179.836 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 48.7 p30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 1.0 110.533 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 60.02 41.87 16.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.539 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m -62.53 -25.44 68.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.03 134.65 34.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.192 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.8 mtmm -145.71 127.24 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -86.52 139.03 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.433 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -126.11 81.81 2.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.31 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.5 mp0 -60.87 169.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.465 178.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER 64.26 42.97 5.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 1.0 109.909 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.822 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 6.0 m-85 -154.52 -36.34 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 112.955 0.724 . . . . 1.0 112.955 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.822 ' CD ' ' H ' ' A' ' 11' ' ' TYR . 28.1 Cg_exo -61.33 142.13 94.92 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 123.224 2.616 . . . . 1.0 109.64 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' CYS . 23.1 t -136.3 159.81 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.527 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.425 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 20.0 m -47.07 -28.16 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.21 -26.69 62.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.001 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.634 ' C ' ' H ' ' A' ' 18' ' ' LEU . 92.3 m -66.63 -18.54 65.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.241 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -48.95 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 109.948 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.634 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.4 mt -108.94 112.3 24.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.344 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.85 -15.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.639 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.1 m-20 -81.24 -48.08 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.982 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.66 -37.0 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.324 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 6.0 m -54.77 -59.66 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.71 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.639 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.0 p-10 -67.45 -41.43 84.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.622 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.6 m-85 -66.14 -51.66 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 1.0 110.865 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.18 -44.56 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.089 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 30' ' ' LYS . 99.1 m -59.87 -41.57 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 1.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -57.73 -42.88 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 1.0 109.927 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.44 -31.99 67.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.202 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.31 -61.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 1.0 113.112 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.594 ' NZ ' ' CZ ' ' A' ' 11' ' ' TYR . 56.9 mmtt -103.68 14.94 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 48.66 28.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.29 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.95 154.89 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.473 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 58.9 mmt-85 -76.9 -48.19 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.79 -0.364 . . . . 1.0 111.344 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.2 m -128.63 -3.52 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.779 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.672 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 27.31 104.36 0.0 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 52.0 mp0 -113.57 130.58 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 52.4 m -106.1 133.78 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.445 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.1 m-85 -125.68 161.84 26.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.319 179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.455 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 10.7 m-85 -97.0 127.87 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.09 -177.1 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.555 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.49 -29.59 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.501 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -71.39 3.81 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 62.99 18.15 10.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.363 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.714 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -107.68 154.16 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.215 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 8.4 mt -86.44 120.31 27.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.667 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.714 ' NE2' HD22 ' A' ' 44' ' ' ASN . 73.1 mm-40 -100.84 126.58 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.609 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 61.4 m -86.34 111.15 20.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.716 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.4 mt -105.34 101.42 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.616 179.562 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -76.95 132.03 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.485 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.75 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 7.1 p30 -114.63 145.15 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.205 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.7 m-85 -111.39 96.56 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.279 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.495 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 78.77 -70.56 0.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.782 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -73.46 126.1 29.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 1.0 110.967 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.507 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 37.9 p30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.759 0.314 . . . . 1.0 110.581 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 5' ' ' LYS . 68.9 mttm -57.63 -32.26 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.541 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -47.32 -17.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 3' ' ' LYS . 64.6 mmtt -98.78 129.05 45.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.175 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -139.82 116.63 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 t -84.11 130.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.417 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.22 84.33 2.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.315 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.508 ' C ' ' H ' ' A' ' 11' ' ' TYR . 42.4 mp0 -69.03 167.85 15.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.407 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 66.19 -2.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.877 179.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.784 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 8.6 m-85 -108.2 -19.65 0.15 Allowed Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.969 0.729 . . . . 1.0 112.969 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.3 Cg_endo -78.8 140.62 16.48 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 123.222 2.615 . . . . 1.0 109.668 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.541 ' O ' ' N ' ' A' ' 16' ' ' CYS . 40.5 t -135.75 162.23 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.503 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.418 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 33.7 m -46.9 -27.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.175 -0.676 . . . . 1.0 109.175 178.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -72.11 -27.09 62.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.97 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.644 ' C ' ' H ' ' A' ' 18' ' ' LEU . 90.4 m -66.21 -19.53 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.234 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -47.8 -8.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.852 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.644 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.1 mt -106.66 108.16 19.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.08 -12.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.45 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.649 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -82.73 -47.85 11.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.901 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.03 -36.76 84.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.324 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 3.9 m -57.11 -59.29 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.812 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.649 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.2 p-10 -66.81 -42.0 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.615 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -66.07 -52.49 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.773 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.109 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 70.8 m -62.81 -42.37 99.69 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -56.2 -42.99 78.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 1.0 109.998 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.44 -34.17 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.164 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -98.76 -62.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.058 0.762 . . . . 1.0 113.058 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' CYS . 58.1 mmtt -96.5 6.14 49.35 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.989 0.737 . . . . 1.0 112.989 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' CYS . 73.0 m-70 53.55 30.45 10.74 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.839 -0.344 . . . . 1.0 111.19 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 149.51 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 52' ' ' CYS . 78.0 mtt180 -76.34 -42.63 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.716 -0.394 . . . . 1.0 111.405 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.2 t -125.29 -6.82 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.715 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 19.35 104.04 0.0 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -123.58 140.08 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 91.9 m -109.12 132.09 54.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.435 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -123.8 163.91 20.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.28 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.501 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 13.7 m-85 -92.64 122.5 35.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.444 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.71 -174.59 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 45.5 mp0 -64.74 -28.69 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.491 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -70.33 1.68 4.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 62.46 16.06 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.318 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.673 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -113.29 155.48 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.189 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 11.1 mt -79.33 124.7 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.728 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.673 ' NE2' HD22 ' A' ' 44' ' ' ASN . 69.8 mm-40 -107.63 125.8 51.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.638 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.552 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 64.1 m -82.77 106.48 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.799 -179.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 17.5 mt -100.28 101.6 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.75 131.07 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.529 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.863 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 4.0 p30 -111.63 139.15 47.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.47 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 56.5 m-85 -113.69 96.43 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.208 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 33' ' ' ARG . 3.3 m 76.5 -37.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.746 176.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.408 ' H ' ' C ' ' A' ' 51' ' ' TYR . 77.7 mm-40 -114.06 121.86 45.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 1.0 110.97 -178.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.0 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.519 179.8 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.819 0.342 . . . . 1.0 110.603 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -84.85 148.85 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.524 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m -55.66 -25.29 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.588 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -92.6 131.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.181 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.638 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.3 mtmm -139.74 132.12 28.44 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 t -81.74 135.09 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.507 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -125.24 79.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.295 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.463 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 54.8 mp0 -60.8 172.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.335 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.96 -3.76 2.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.892 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.803 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.4 m-85 -124.24 9.3 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 113.034 0.753 . . . . 1.0 113.034 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.803 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 90.3 Cg_endo -82.39 119.16 3.01 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 123.157 2.571 . . . . 1.0 109.681 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -135.89 152.62 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.544 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -50.86 -32.52 20.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -60.35 -27.68 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.972 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 18' ' ' LEU . 61.1 m -64.86 -24.76 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.125 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -44.01 -16.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.975 0.417 . . . . 1.0 109.905 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.2 mt -103.77 104.94 15.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.3 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.06 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.46 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.67 -46.76 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 109.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -61.84 -40.55 95.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.309 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 33.4 m -52.09 -60.22 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.803 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.9 p-10 -67.83 -43.48 79.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.674 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.418 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -63.98 -51.91 62.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 1.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.29 -47.39 79.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 87.8 m -59.2 -44.12 92.23 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.337 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.7 mtpm? -53.61 -43.44 68.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 1.0 109.967 178.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.34 -34.76 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.256 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -96.7 -62.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.175 0.805 . . . . 1.0 113.175 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.619 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 65.4 mmtt -98.74 3.48 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.961 0.726 . . . . 1.0 112.961 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 58.42 29.32 18.08 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.832 -0.347 . . . . 1.0 111.235 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 153.58 41.3 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.8 mmt-85 -80.55 -45.64 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.289 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -129.31 -4.85 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.784 -177.806 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 38.39 104.46 0.01 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.24 122.07 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.561 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 34.9 m -107.28 138.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -130.31 163.98 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.301 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -91.38 133.72 35.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 53.1 p30 -104.71 -177.68 3.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.55 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.93 -30.37 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -80.46 11.47 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 61.3 13.24 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.305 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.6 t30 -92.93 146.82 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.25 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 27.0 mt -84.07 105.67 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -80.34 120.43 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.6 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -81.02 105.94 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 19.1 mt -105.4 103.0 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.618 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.43 124.91 25.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.498 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.714 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.3 p30 -103.44 146.42 28.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.194 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.638 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.0 m-85 -110.88 96.44 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.195 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.14 -63.63 0.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.733 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -79.56 122.63 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 1.0 110.941 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 54' ' ' TYR . 26.8 p90 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.557 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.93 -39.67 82.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.622 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.65 -27.64 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.598 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' HZ3' ' C ' ' A' ' 54' ' ' TYR . 67.2 mmtt -89.96 130.85 36.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.162 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -141.19 130.47 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.45 138.42 20.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 1.0 111.407 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -120.44 89.89 3.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.281 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 58.4 mp0 -67.04 171.76 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.425 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.14 -3.03 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.919 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.786 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.8 m-85 -111.21 -19.73 0.12 Allowed Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 113.021 0.749 . . . . 1.0 113.021 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 81.4 Cg_exo -45.02 113.38 0.48 Allowed 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 123.229 2.619 . . . . 1.0 109.663 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.619 HG22 ' H ' ' A' ' 15' ' ' LYS . 8.6 p -137.41 146.21 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.53 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -51.18 -36.66 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.619 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.0 mmtm -57.57 -26.43 61.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.936 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.549 ' C ' ' H ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -72.74 -18.6 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.214 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -45.55 -14.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.889 179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.549 ' H ' ' C ' ' A' ' 16' ' ' CYS . 82.0 mt -104.28 107.39 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.274 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.44 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.464 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -80.75 -44.37 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -64.63 -40.33 95.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.308 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 17.1 m -52.37 -59.06 4.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.719 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.8 p-10 -67.22 -45.17 77.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.607 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -59.92 -53.23 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 1.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -64.31 -43.97 93.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.057 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' LYS . 89.1 m -65.71 -43.98 87.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.801 0.334 . . . . 1.0 110.287 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 14.0 mtpp -49.1 -50.96 34.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.075 0.464 . . . . 1.0 109.93 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.19 -32.57 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.206 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -96.95 -63.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.5 mmtt -100.6 1.11 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.948 0.721 . . . . 1.0 112.948 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.4 m80 59.82 67.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.222 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . -104.79 143.69 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.539 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 25.7 mmt180 -78.49 -42.87 28.44 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.314 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.8 m -129.55 -7.52 4.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.696 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.703 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 42.15 115.67 0.0 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 30.6 mp0 -125.79 120.36 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 22.7 m -111.31 126.42 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.345 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -119.62 167.4 12.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.338 -179.653 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CE2' ' CD2' ' A' ' 45' ' ' LEU . 24.5 m-85 -101.52 123.25 45.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.437 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 55.4 p30 -95.46 -164.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.539 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -69.68 -28.9 66.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.71 2.3 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.711 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.33 18.63 9.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.332 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.692 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -100.57 156.67 17.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.269 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' CD2' ' CE2' ' A' ' 39' ' ' TYR . 28.9 mt -83.13 105.06 13.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.698 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.692 ' NE2' HD22 ' A' ' 44' ' ' ASN . 92.8 mm-40 -80.42 109.83 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.8 m -74.06 102.75 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.763 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 15.7 mt -103.31 100.98 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.619 179.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.9 m -78.94 126.49 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.746 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 8.2 p30 -106.53 145.72 31.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.167 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.486 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.1 m-85 -110.91 95.85 5.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.248 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.539 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 78.02 -65.64 0.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.706 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -77.49 114.64 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 1.0 111.024 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.424 ' C ' ' HZ3' ' A' ' 5' ' ' LYS . 43.9 p90 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.509 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.749 0.309 . . . . 1.0 110.596 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -61.73 -31.74 71.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.37 -15.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.512 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -98.27 136.54 38.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.196 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.2 mtmm -146.97 123.06 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.81 136.03 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.499 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -110.58 79.26 1.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.326 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 74.7 mm-40 -63.03 156.24 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.396 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.568 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.37 48.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.88 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 10' ' ' ASN . 6.2 m-85 -155.14 -57.4 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.1 Cg_endo -39.5 136.24 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 123.246 2.631 . . . . 1.0 109.706 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.588 ' O ' ' N ' ' A' ' 16' ' ' CYS . 4.6 p -138.29 163.26 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.533 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.521 ' N ' ' CG2' ' A' ' 13' ' ' VAL . 22.4 m -45.24 -32.53 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.574 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.2 mmtm -69.77 -27.04 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 1.0 109.944 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.619 ' C ' ' H ' ' A' ' 18' ' ' LEU . 94.5 m -67.27 -19.76 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.19 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.1 pt20 -47.98 -9.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.829 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.619 ' H ' ' C ' ' A' ' 16' ' ' CYS . 80.5 mt -106.53 109.28 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.225 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.9 -12.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.432 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -83.67 -49.7 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.07 -36.84 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.365 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 99.1 m -58.85 -59.82 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.778 -178.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -65.12 -42.43 93.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.658 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.61 -54.16 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 1.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -62.15 -40.17 95.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.059 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 30' ' ' LYS . 73.0 m -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.33 . . . . 1.0 110.349 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -57.92 -45.1 87.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.014 0.435 . . . . 1.0 109.926 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.46 -40.84 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.139 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.68 -60.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' CYS . 81.1 mttt -84.48 4.91 29.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -177.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' CYS . 72.6 m-70 53.35 16.53 0.88 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.266 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.06 152.06 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.3 mmm180 -79.12 -42.84 25.34 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.409 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.603 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.7 t -127.17 -7.99 5.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.673 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.603 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.51 100.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -113.91 131.09 56.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.997 -0.372 . . . . 1.0 109.997 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 59.3 m -110.33 137.04 48.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.36 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -129.64 165.07 22.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.243 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 17.9 m-85 -93.75 130.85 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.345 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.9 p-10 -101.53 -174.71 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.565 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.8 mp0 -66.98 -30.18 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.69 5.16 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 62.7 17.72 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.316 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.515 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -108.21 153.07 23.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.252 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.623 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 10.1 mt -81.41 120.59 25.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.692 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 44' ' ' ASN . 82.4 mm-40 -99.06 119.87 38.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.645 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 88.5 m -82.56 104.26 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.796 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 31.2 mt -99.37 100.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 95.0 m -77.56 135.35 38.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.544 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.802 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.1 p30 -111.91 143.23 43.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.4 m-85 -113.7 96.7 5.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.225 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 75.07 -35.72 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.697 176.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.444 ' H ' ' C ' ' A' ' 51' ' ' TYR . 77.7 mm-40 -115.12 115.92 27.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 1.0 111.005 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.563 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.848 0.356 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -82.18 138.42 34.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 3.5 m -140.43 -13.33 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.477 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -102.63 140.54 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.202 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -141.33 115.26 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.79 131.22 35.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.478 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.624 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.4 m-85 -112.72 85.11 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.315 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 77.6 mm-40 -70.17 161.51 30.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.429 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.555 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 73.12 -0.13 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.914 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.792 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 15.3 m-85 -110.27 -18.21 0.13 Allowed Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 112.957 0.725 . . . . 1.0 112.957 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -47.18 124.92 9.67 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 123.277 2.651 . . . . 1.0 109.687 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.476 HG21 ' O ' ' A' ' 11' ' ' TYR . 5.5 t -132.71 139.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.551 -0.46 . . . . 1.0 111.501 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -51.53 -29.32 16.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.013 179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' A' ' 18' ' ' LEU . 85.0 m -65.7 -22.6 66.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.228 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -43.68 -16.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.893 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.6 mt -100.35 105.67 17.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.289 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.32 -18.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.448 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.644 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -78.99 -49.14 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.946 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -60.29 -39.31 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.391 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.566 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 90.1 m -52.23 -60.77 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.767 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.644 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.3 p-10 -68.08 -43.84 77.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.644 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -62.77 -54.2 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -62.7 -43.86 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.022 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.2 m -60.36 -44.38 95.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.747 0.308 . . . . 1.0 110.278 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -55.59 -44.56 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.024 0.44 . . . . 1.0 109.923 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.97 -44.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -98.15 -57.86 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.0 mttp -84.63 -1.47 56.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.915 0.709 . . . . 1.0 112.915 -176.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' CYS . 60.8 m-70 57.5 17.18 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.223 178.426 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.84 154.0 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 178.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.43 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 64.3 mtt-85 -77.23 -46.58 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.384 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.7 m -128.99 -2.42 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.802 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 36.49 104.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 49.5 mp0 -109.17 123.42 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 8.0 m -106.78 128.67 54.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.375 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -119.54 161.23 20.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.28 179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 25.6 m-85 -96.86 127.96 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.413 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 48.5 p-10 -102.84 -169.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -68.8 -31.03 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.431 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -73.97 4.04 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.43 18.71 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.354 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.695 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -100.63 155.68 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.222 179.65 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 36.7 mt -86.27 104.31 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.695 ' NE2' HD22 ' A' ' 44' ' ' ASN . 83.5 mm-40 -80.0 111.94 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.56 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 93.3 m -81.79 106.94 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.744 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 56.0 mt -105.36 102.8 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.624 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 m -66.59 125.93 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.535 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.859 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.0 p30 -108.54 139.21 43.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.471 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 15.2 m-85 -111.45 95.45 5.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.179 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.471 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.65 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.7 mp0 -71.88 124.54 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 1.0 111.011 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.499 179.786 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 52.5 p30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.76 0.314 . . . . 1.0 110.556 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 mttt 56.33 45.55 22.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.548 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m -58.42 -30.28 66.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.566 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -90.85 127.71 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.221 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -134.77 136.83 42.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.3 t -79.58 133.64 29.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.45 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.445 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 10.0 m-85 -123.7 79.03 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.283 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.436 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 45.7 mp0 -66.15 179.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.16 10.33 3.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.95 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.936 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -147.56 31.94 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.936 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 5.2 Cg_exo -84.08 117.34 2.21 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.267 2.645 . . . . 1.0 109.665 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.5 t -134.59 140.82 44.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.508 -177.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.2 m -51.79 -33.4 35.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.18 -0.674 . . . . 1.0 109.18 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -58.42 -27.43 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.97 179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.1 m -65.03 -24.91 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -43.1 -17.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.85 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' CYS . 85.2 mt -98.72 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.284 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.95 -16.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.417 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -79.92 -47.46 15.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.47 -39.21 92.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.352 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 95.0 m -52.93 -59.44 4.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.701 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.8 p-10 -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.541 -177.276 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.7 m-85 -64.85 -51.05 64.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.814 0.34 . . . . 1.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -64.21 -47.26 80.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.7 m -56.79 -45.38 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.317 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -55.25 -41.74 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.024 0.44 . . . . 1.0 109.948 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.1 mt -71.42 -36.31 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.212 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.39 -62.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.625 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 41.2 mmtm -95.56 2.74 54.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.033 0.753 . . . . 1.0 113.033 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 57.24 25.05 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.799 -0.36 . . . . 1.0 111.199 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.09 153.47 37.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mmt-85 -75.28 -43.29 52.03 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.718 -0.393 . . . . 1.0 111.388 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.646 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -131.32 -1.85 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.743 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.646 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.23 103.59 0.01 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 79.1 mm-40 -116.87 131.18 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.042 -0.355 . . . . 1.0 110.042 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.574 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 9.9 m -106.8 142.46 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.003 0.43 . . . . 1.0 111.383 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -130.05 162.42 28.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.315 179.654 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 57.9 m-85 -94.38 125.44 39.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.378 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 41.6 p-10 -99.65 -169.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.575 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 7.1 pm0 -71.04 -29.35 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.481 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' CB ' ' NZ ' ' A' ' 42' ' ' LYS . 9.1 mtmp? -75.32 4.38 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 61.75 18.87 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.299 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.686 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -103.17 155.85 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.233 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.0 mt -86.31 106.18 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.674 -179.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.686 ' NE2' HD22 ' A' ' 44' ' ' ASN . 78.2 mm-40 -83.39 119.33 24.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.608 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.498 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 32.9 m -78.42 104.56 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.756 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 16.2 mt -105.01 106.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.6 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 61.1 m -73.43 125.11 27.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.539 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.716 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.4 p30 -103.58 146.84 27.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.2 m-85 -109.78 97.2 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.244 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.477 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.55 -63.11 0.39 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.712 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -87.09 114.88 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 1.0 110.953 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.7 p90 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.489 179.722 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.808 0.337 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.92 -35.17 72.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 m -130.07 -14.36 3.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.625 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -92.42 136.78 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.181 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -140.93 127.52 20.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -84.1 132.41 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.431 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.75 89.27 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.323 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 70.5 mm-40 -68.88 173.8 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.438 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 71.84 -1.75 2.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.835 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.805 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.6 m-85 -113.78 -14.97 0.11 Allowed Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 112.942 0.719 . . . . 1.0 112.942 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.805 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.9 Cg_exo -48.41 118.87 3.58 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 123.266 2.644 . . . . 1.0 109.712 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.496 HG23 ' O ' ' A' ' 11' ' ' TYR . 13.9 t -132.62 141.39 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.52 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 m -49.81 -32.52 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.431 ' H ' HG13 ' A' ' 13' ' ' VAL . 62.7 mttp -62.74 -27.98 69.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.609 -0.723 . . . . 1.0 109.986 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 18' ' ' LEU . 70.9 m -63.85 -18.46 64.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.178 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -43.38 -16.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 1.0 109.874 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -103.3 104.2 14.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.215 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.97 -15.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.521 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.576 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -81.65 -42.36 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.022 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' LEU . 70.4 mm-40 -64.39 -41.21 96.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.375 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 5.7 m -54.94 -59.7 4.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.733 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.576 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.7 p-10 -63.95 -42.83 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.619 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -65.53 -48.0 73.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 1.0 110.88 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.4 -43.9 96.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.122 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.9 m -57.44 -45.3 84.85 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.303 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -54.8 -42.61 72.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.888 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -39.15 72.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.192 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -96.97 -61.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.631 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 62.1 mmtt -92.32 4.11 54.02 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -176.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' CYS . 61.8 m-70 57.94 17.46 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.288 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 173.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.854 -0.425 . . . . 1.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 76.6 mtt85 -100.28 -68.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.344 -179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' ' O ' ' A' ' 35' ' ' GLY . 6.9 t -130.31 31.73 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.773 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -40.16 170.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 51.8 mp0 -146.09 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 1.9 m -110.31 135.62 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.347 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -123.22 163.63 20.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.305 179.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -96.58 130.91 43.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.442 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 43.3 p-10 -104.9 -163.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 2.2 pm0 -74.18 -33.17 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.501 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -73.88 5.97 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 60.56 18.44 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.335 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.674 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -98.67 155.29 17.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.289 179.592 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 20.4 mt -86.18 102.73 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.684 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.674 ' NE2' HD22 ' A' ' 44' ' ' ASN . 72.3 mm-40 -79.26 115.44 18.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.609 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 m -81.58 111.76 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.8 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.8 mt -106.17 102.79 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.579 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.7 m -73.54 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.551 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.735 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 7.4 p30 -106.74 146.55 30.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.239 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.481 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.9 m-85 -111.49 98.42 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.201 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.37 -59.64 0.46 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.741 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -99.8 123.84 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 1.0 110.935 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.471 179.737 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.805 0.336 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -58.27 -33.18 69.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.496 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.0 m -54.63 -32.87 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.526 -179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -90.67 131.29 36.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.181 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -140.28 130.7 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.48 131.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.439 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -114.87 78.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.33 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 77.6 mm-40 -62.76 172.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.481 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.552 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.83 10.37 3.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.905 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.952 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 57.8 m-85 -142.87 29.02 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.966 0.728 . . . . 1.0 112.966 179.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.952 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.3 Cg_endo -86.67 117.33 1.43 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 123.323 2.682 . . . . 1.0 109.635 176.515 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 t -135.52 145.31 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.415 . . . . 1.0 111.497 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -52.03 -34.13 41.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -58.29 -27.43 64.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.981 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' LEU . 33.8 m -63.62 -26.75 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.22 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -43.61 -16.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.959 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.9 mt -99.74 102.09 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.09 -15.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.671 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -81.63 -46.52 14.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -62.46 -39.18 92.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.344 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.572 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 77.8 m -55.65 -58.66 6.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.717 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.671 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.07 -42.54 84.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.588 -177.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.1 m-85 -66.01 -52.36 50.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 1.0 110.844 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -62.59 -45.1 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.037 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.2 m -57.97 -44.28 86.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.333 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -55.69 -42.15 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 1.0 109.906 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.28 -37.61 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.205 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -98.02 -61.93 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -177.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 36.7 mmtm -93.59 4.11 54.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' CYS . 29.8 m80 55.93 21.01 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.279 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.26 150.67 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.653 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.662 ' HE ' ' N ' ' A' ' 52' ' ' CYS . 57.4 mtt-85 -72.7 -46.36 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.729 -0.388 . . . . 1.0 111.447 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.694 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.3 t -129.61 -1.52 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.754 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.694 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 28.76 105.99 0.0 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 22.5 mp0 -116.74 132.91 56.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.004 -0.369 . . . . 1.0 110.004 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.572 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 9.6 m -107.06 140.65 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.428 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -126.73 161.27 28.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.293 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 10.7 m-85 -96.58 123.72 40.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.94 -176.51 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.525 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -63.65 -29.26 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -76.86 5.3 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.572 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 61.51 18.39 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.317 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.56 151.81 20.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.247 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.412 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 24.0 mt -89.14 105.09 17.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 1.0 110.718 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 9' ' ' GLU . 63.9 mm-40 -87.31 125.78 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.602 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.8 m -83.3 108.21 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.706 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 20.0 mt -105.36 104.48 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.571 179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.3 m -77.15 132.71 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.551 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.755 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.5 p30 -108.87 146.0 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.63 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 12.6 m-85 -113.49 98.77 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.243 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.662 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 3.7 m 79.65 -71.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.718 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.496 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 36.8 mp0 -78.85 130.88 36.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 1.0 110.999 -179.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.538 179.65 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.1 p30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.78 0.324 . . . . 1.0 110.557 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.82 -35.18 70.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.6 -22.83 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -87.88 136.36 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.217 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.2 mtpp -142.22 123.86 15.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.35 138.92 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.458 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -118.4 90.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.358 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -70.99 165.35 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 70.26 -0.0 3.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.114 -0.494 . . . . 1.0 109.939 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.785 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.6 m-85 -111.78 -17.08 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 113.002 0.741 . . . . 1.0 113.002 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 77.3 Cg_exo -47.1 125.39 10.14 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.274 2.649 . . . . 1.0 109.645 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.1 t -132.73 143.12 40.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.651 -0.42 . . . . 1.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -51.02 -29.61 12.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -66.95 -26.14 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.0 178.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' LEU . 82.2 m -59.61 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -45.57 -15.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 1.0 109.908 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.5 mt -104.55 101.72 11.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.293 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.72 -14.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.42 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.705 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 89.1 m-20 -84.42 -45.7 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.916 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -62.49 -40.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.326 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -58.6 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.79 -178.019 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.705 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.3 p-10 -63.67 -43.12 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.653 -177.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.99 -53.46 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 1.0 110.888 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -61.91 -43.99 97.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 68.6 m -58.34 -45.87 87.31 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.291 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.57 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 36.3 mttp -52.79 -42.05 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 1.0 109.935 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -71.08 -44.12 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.35 -60.08 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.087 0.773 . . . . 1.0 113.087 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 26' ' ' CYS . 47.0 mttp -84.76 -1.86 56.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -176.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' CYS . 28.1 m80 57.29 20.58 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.86 -0.336 . . . . 1.0 111.219 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.26 151.65 47.12 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.57 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 31.4 mmt180 -81.87 -37.59 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.789 -0.364 . . . . 1.0 111.333 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.622 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -131.38 -7.09 3.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.742 -178.605 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.7 103.01 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 34.9 mp0 -106.52 136.56 46.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.553 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -112.29 136.23 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.385 -179.445 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -132.34 161.56 33.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.315 179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.83 134.02 37.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.433 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -105.64 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.636 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 46.8 mp0 -66.39 -30.23 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.625 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -80.06 11.03 3.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.659 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 61.06 14.08 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.301 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.459 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -93.65 151.71 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.206 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.1 mt -87.08 104.57 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.728 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -78.58 113.29 16.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.588 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.99 102.0 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.2 mt -98.73 101.26 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.573 179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 81.8 m -78.75 134.25 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.519 -179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.756 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 5.8 p30 -106.44 147.11 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.9 m-85 -112.1 99.23 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.257 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.488 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.5 m 79.02 -56.75 0.44 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.694 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -106.4 127.03 52.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 1.0 110.945 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.6 p90 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.483 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.782 0.325 . . . . 1.0 110.578 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -75.38 140.15 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.486 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.1 m 67.78 14.04 9.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.584 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -131.97 141.28 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.226 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -152.09 124.0 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.39 140.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.45 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.476 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 18.6 m-85 -118.34 90.46 3.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 56.2 mp0 -71.61 163.04 28.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.439 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.31 2.88 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 1.0 109.933 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.782 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 16.4 m-85 -114.2 -19.75 0.11 Allowed Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 113.044 0.757 . . . . 1.0 113.044 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -46.36 115.91 1.34 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 123.276 2.65 . . . . 1.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.571 HG11 ' H ' ' A' ' 15' ' ' LYS . 85.3 t -133.6 145.04 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.545 -0.462 . . . . 1.0 111.452 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.9 t -49.8 -39.9 39.86 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.571 ' H ' HG11 ' A' ' 13' ' ' VAL . 25.2 pttt -54.99 -26.67 38.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.041 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.1 m -65.4 -25.21 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.241 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -43.94 -16.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.892 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.7 mt -100.39 104.53 15.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.301 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.14 -18.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.404 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.647 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -78.01 -50.15 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.928 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -59.94 -38.47 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.264 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 84.3 m -51.67 -61.62 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.755 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.647 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.5 p-10 -68.38 -43.94 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.608 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.6 m-85 -62.27 -54.24 43.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 1.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -62.7 -44.41 96.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.112 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.592 ' O ' ' N ' ' A' ' 30' ' ' LYS . 64.9 m -58.68 -43.38 89.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.294 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 41.0 mttm -56.27 -42.9 78.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 1.0 109.9 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.85 -43.75 71.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.189 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -98.4 -57.92 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.141 0.793 . . . . 1.0 113.141 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.4 mttp -86.07 -3.63 58.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.018 0.747 . . . . 1.0 113.018 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.1 m-70 58.07 19.43 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.19 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.37 156.1 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.54 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 85.9 mtt-85 -83.67 -40.99 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.726 -0.389 . . . . 1.0 111.293 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.612 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -129.9 -4.26 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.771 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.612 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.87 102.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 78.3 mm-40 -111.49 124.34 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.565 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 9.6 m -107.0 138.83 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.335 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -129.47 163.88 24.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.271 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -94.37 132.34 39.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -103.87 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.67 -30.37 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.72 9.68 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.57 16.97 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.305 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -95.19 150.51 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.243 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.92 104.02 15.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.696 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -78.89 112.93 16.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.636 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 m -78.6 103.82 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.761 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 32.7 mt -104.65 101.87 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.588 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.476 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 64.6 m -70.18 127.84 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.52 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.748 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 8.2 p30 -111.92 144.94 40.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.109 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 16.6 m-85 -112.38 94.55 4.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.205 177.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 2.9 m 72.02 -69.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.71 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.21 114.51 13.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.918 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.555 179.487 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 2' ' ' ASP . 51.1 p30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.838 0.352 . . . . 1.0 110.544 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -84.78 147.44 26.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 m -55.76 -23.63 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.584 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -93.26 134.15 35.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.471 ' CB ' ' HZ2' ' A' ' 6' ' ' LYS . 9.7 mtmp? -143.31 134.87 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.15 139.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.454 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -119.22 87.56 2.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.314 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 57.1 mp0 -66.95 165.04 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.425 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.545 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.12 0.92 3.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.871 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.788 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 28.6 m-85 -115.88 -19.99 0.1 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.788 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.6 Cg_exo -46.8 116.28 1.59 Allowed 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 123.248 2.632 . . . . 1.0 109.643 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 4.7 m -138.05 149.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.627 -0.429 . . . . 1.0 111.527 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 25.5 t -54.64 -25.2 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.59 -29.93 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.058 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' LEU . 56.2 m -68.6 -20.76 64.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.8 pt20 -44.79 -15.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 1.0 109.927 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -104.19 105.18 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.324 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.58 -16.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.474 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.651 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.4 m-20 -81.06 -47.14 13.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.973 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -61.17 -39.01 88.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.328 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 68.1 m -54.52 -59.99 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.73 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.651 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.19 -42.74 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.63 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -65.0 -53.65 42.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 1.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.36 -44.76 95.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.076 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.3 m -58.72 -44.2 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 1.0 110.348 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' NZ ' ' CB ' ' A' ' 27' ' ' LYS . 8.3 mtpm? -55.31 -42.9 74.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.984 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.91 -43.64 67.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.138 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -97.96 -59.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.2 mttp -84.85 -0.89 55.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . 63.2 m-70 57.17 17.46 3.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.768 -0.373 . . . . 1.0 111.27 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.48 152.41 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.0 mmm180 -79.09 -40.74 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.778 -0.369 . . . . 1.0 111.344 -179.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.636 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -128.72 -7.11 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.734 -178.174 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.02 102.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -115.35 133.46 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.06 -0.348 . . . . 1.0 110.06 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 23.2 m -110.5 141.76 43.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 1.0 111.361 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -131.29 165.24 23.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.318 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . 0.42 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 28.7 m-85 -97.84 130.55 44.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.383 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 52.5 p-10 -107.17 -169.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.508 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -68.63 -30.31 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.493 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -74.6 6.3 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.608 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 58.9 15.2 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.322 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.684 HD22 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -99.82 155.66 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.197 179.452 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -85.45 104.44 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.701 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.684 ' NE2' HD22 ' A' ' 44' ' ' ASN . 88.6 mm-40 -79.64 116.37 19.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.624 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.8 m -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.782 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 24.0 mt -102.91 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.634 179.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' SG ' ' CD ' ' A' ' 30' ' ' LYS . 78.7 m -77.72 132.31 38.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.564 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.723 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 7.9 p30 -106.1 146.41 30.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.191 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.484 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.1 m-85 -111.99 97.43 6.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 77.83 -65.12 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.717 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -84.12 133.39 34.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.0 111.005 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.5 p90 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.487 179.765 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.734 0.302 . . . . 1.0 110.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' CD ' ' H ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -82.77 119.37 24.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.516 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 m -67.62 -30.73 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.551 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.47 130.03 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.174 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -138.19 128.52 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.36 136.21 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.469 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 9' ' ' GLU . 13.8 m-85 -135.05 79.31 1.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.338 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.576 ' O ' ' N ' ' A' ' 11' ' ' TYR . 40.9 mp0 -60.45 -141.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.432 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 47.5 m-20 42.97 16.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.958 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.88 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 32.0 m-85 -153.37 32.94 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 112.99 0.737 . . . . 1.0 112.99 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.88 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.2 Cg_endo -90.06 115.17 0.56 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.303 2.669 . . . . 1.0 109.689 176.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.8 t -137.7 146.32 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.515 -177.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.4 p -54.14 -30.62 49.73 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -63.89 -29.33 70.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.037 178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.0 m -65.08 -19.85 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -42.62 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.869 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 71.7 mt -96.51 103.87 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.376 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.2 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.501 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.573 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.53 -45.26 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 63.3 mm-40 -62.2 -40.46 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.34 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 4.0 m -53.55 -60.51 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.734 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.573 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.4 p-10 -65.42 -43.99 88.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.42 -0.355 . . . . 1.0 111.583 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.16 -48.14 79.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 1.0 110.838 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.81 -43.69 97.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.054 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.603 ' O ' ' N ' ' A' ' 30' ' ' LYS . 94.1 m -57.65 -45.75 85.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.817 0.341 . . . . 1.0 110.365 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -54.85 -44.64 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.046 0.451 . . . . 1.0 109.996 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.14 -39.14 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.08 -59.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.132 0.79 . . . . 1.0 113.132 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' A' ' 26' ' ' CYS . 65.8 mmtt -93.8 3.33 55.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.002 0.742 . . . . 1.0 113.002 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' CYS . 26.7 m80 57.94 19.47 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.265 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.45 176.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.884 -0.413 . . . . 1.0 109.884 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.401 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 80.4 mtt-85 -99.1 -69.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.779 -0.368 . . . . 1.0 111.375 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.576 ' O ' ' O ' ' A' ' 35' ' ' GLY . 58.8 m -131.51 31.6 4.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.741 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -39.36 168.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.535 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 51.0 mp0 -145.64 161.09 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 5.7 m -106.38 135.62 47.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.408 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -122.13 161.89 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.236 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -93.78 126.64 39.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.458 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -94.83 -168.56 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.524 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -67.83 -34.63 77.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.05 9.6 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 61.85 18.58 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.04 149.21 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.288 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.5 mt -83.53 102.56 12.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.77 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -86.11 122.04 29.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.611 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 57.6 m -83.64 114.58 21.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.751 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 33.2 mt -109.55 109.55 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.3 m -73.67 124.96 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.755 ' OD1' ' O ' ' A' ' 50' ' ' ASP . 9.0 p30 -104.8 146.51 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.181 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 m-85 -110.34 97.92 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.203 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.42 -70.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.702 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -67.44 133.33 49.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 1.0 110.961 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.5 p90 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.49 179.73 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.493 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 1.0 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.09 141.44 48.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -143.11 113.97 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.537 -0.542 . . . . 1.0 109.537 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.426 ' CG1' ' OE2' ' A' ' 9' ' ' GLU . 15.6 t -82.38 129.33 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.458 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.412 ' CE2' ' SG ' ' A' ' 49' ' ' CYS . 59.3 m-85 -115.06 77.8 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.282 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.699 ' HA ' HE22 ' A' ' 46' ' ' GLN . 53.6 mp0 -63.61 -9.88 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 m-20 -91.27 17.92 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.825 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -152.58 41.21 0.19 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 112.962 0.727 . . . . 1.0 112.962 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.825 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.1 Cg_endo -89.09 116.99 0.79 Allowed 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.246 2.631 . . . . 1.0 109.652 176.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -134.61 140.97 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.508 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -53.58 -32.26 50.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.462 ' H ' HG12 ' A' ' 13' ' ' VAL . 89.8 mttt -58.98 -26.73 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.019 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.3 m -65.66 -24.74 67.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.201 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -42.26 -18.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.885 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 84.8 mt -97.52 105.14 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.287 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.8 -18.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.646 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -78.59 -48.42 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.984 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -60.85 -39.39 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.373 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.697 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 92.4 m -51.92 -60.52 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.734 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.646 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.4 p-10 -68.59 -42.69 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.632 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -64.2 -52.92 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 1.0 110.788 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -63.22 -46.22 88.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.066 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 75.1 m -57.82 -45.33 86.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.324 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -55.22 -41.84 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.074 0.464 . . . . 1.0 109.904 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.16 -37.07 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -97.39 -61.18 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.629 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 54.6 mmtt -96.34 6.21 49.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.978 0.733 . . . . 1.0 112.978 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.1 m80 52.82 27.62 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.227 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.99 152.04 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' NH1' ' SG ' ' A' ' 52' ' ' CYS . 78.2 mtt180 -76.05 -41.85 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.74 -0.384 . . . . 1.0 111.401 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.613 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -130.14 -3.64 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.711 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.613 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.64 101.53 0.01 OUTLIER Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -116.71 129.18 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.697 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 17.0 m -104.51 141.19 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.416 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CD1' HD12 ' A' ' 48' ' ' ILE . 83.1 m-85 -128.34 160.63 31.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.273 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.447 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 21.5 m-85 -93.73 125.94 38.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 46.6 p-10 -99.44 -171.42 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.574 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 53.0 mp0 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -73.65 4.08 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.41 19.52 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.359 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.456 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -103.8 155.15 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.193 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.3 mt -85.95 107.7 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.737 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.699 HE22 ' HA ' ' A' ' 9' ' ' GLU . 5.0 mm100 -87.66 122.35 31.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.609 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.63 107.99 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.612 HD12 ' CD1' ' A' ' 38' ' ' PHE . 17.7 mt -108.65 103.41 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.648 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 8' ' ' TYR . 35.1 m -68.22 126.49 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.529 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.843 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 p30 -108.82 139.15 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.167 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.443 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 20.3 m-85 -112.27 94.7 5.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.27 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.589 ' SG ' ' NH1' ' A' ' 33' ' ' ARG . 3.0 m 73.38 -69.12 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.725 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.6 mp0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 1.0 110.993 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -97.26 134.82 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.189 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 9.7 mtmp? -140.49 123.01 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.67 129.86 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.466 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD1' ' CE ' ' A' ' 30' ' ' LYS . 36.3 m-85 -107.12 76.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.315 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 52.4 mp0 -62.84 -9.22 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.39 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.529 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.0 m-20 -91.32 18.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 1.0 109.908 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.833 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 71.3 m-85 -153.02 40.94 0.18 Allowed Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.94 0.718 . . . . 1.0 112.94 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.833 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.1 Cg_endo -87.47 117.06 1.19 Allowed 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.22 2.614 . . . . 1.0 109.636 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.7 t -134.49 143.02 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.535 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -51.69 -33.95 36.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' H ' HG12 ' A' ' 13' ' ' VAL . 35.3 mtmm -59.44 -27.02 65.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.666 -0.697 . . . . 1.0 109.966 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 55.5 m -63.43 -24.95 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.18 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -44.25 -15.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.86 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.8 mt -101.47 103.49 14.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.289 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.8 -15.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.441 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.662 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -80.32 -47.66 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -61.51 -38.52 87.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.346 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 29.6 m -53.76 -60.08 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.689 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.662 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.8 p-10 -67.65 -42.05 82.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 1.0 111.603 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.409 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -65.26 -53.54 42.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.834 0.35 . . . . 1.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -62.21 -44.95 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 1.0 111.111 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 30' ' ' LYS . 65.9 m -57.35 -44.06 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.347 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 47.0 mttm -56.34 -40.68 74.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.126 0.488 . . . . 1.0 110.009 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.28 -39.47 71.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.185 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -98.57 -61.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.115 0.783 . . . . 1.0 113.115 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.636 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 39.5 mmtm -90.8 2.98 55.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.98 0.733 . . . . 1.0 112.98 -177.029 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' CYS . 23.1 m80 53.93 21.12 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.841 -0.343 . . . . 1.0 111.211 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.42 153.77 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 20.5 mmt85 -78.88 -41.22 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.371 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.638 ' O ' ' O ' ' A' ' 35' ' ' GLY . 4.5 t -128.87 -4.02 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.755 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.638 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 22.95 102.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.56 134.59 54.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.992 -0.373 . . . . 1.0 109.992 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.61 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 66.3 m -107.68 143.65 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.446 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.714 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.2 m-85 -132.66 163.92 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.285 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -90.08 130.37 36.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.393 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.0 p30 -99.76 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.511 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.5 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -79.92 10.19 4.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.582 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 61.2 17.38 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.299 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -97.14 151.34 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.241 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.4 mt -87.49 105.73 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -87.64 125.92 34.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.594 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.6 m -82.57 106.19 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.714 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.7 mt -98.62 102.18 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -83.14 135.63 34.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.571 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.786 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.1 p30 -114.81 143.99 44.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.197 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' ' 53' ' ' GLU . 10.7 m-85 -113.5 95.39 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.232 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 71.84 -29.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.767 177.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 51' ' ' TYR . 79.0 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.006 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.818 0.342 . . . . 1.0 110.615 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.21 128.04 36.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.158 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.3 mtmm -135.55 130.68 34.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.66 135.51 27.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.427 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 11.0 m-85 -132.31 77.45 1.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.325 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 11' ' ' TYR . 38.9 mp0 -63.24 -142.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.428 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.561 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 39.6 m-20 45.67 13.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.851 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.874 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-85 -153.86 36.1 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 113.013 0.746 . . . . 1.0 113.013 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.874 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.7 Cg_endo -88.01 115.68 0.96 Allowed 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 123.271 2.647 . . . . 1.0 109.697 175.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -136.02 145.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.654 -0.419 . . . . 1.0 111.501 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -54.44 -33.17 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 9.4 mtmp? -59.66 -27.12 66.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.052 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 38.7 m -64.33 -24.69 67.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -43.33 -17.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 1.0 109.893 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 86.3 mt -98.12 104.67 16.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.71 -17.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.422 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.667 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -79.44 -47.01 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -61.29 -38.62 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.343 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.585 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 36.1 m -54.44 -58.98 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.771 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.667 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 7.2 p-10 -67.81 -43.46 79.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.606 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.474 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -64.08 -53.09 55.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.333 . . . . 1.0 110.882 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.31 -45.15 94.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.045 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 61.4 m -56.63 -45.46 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 1.0 110.348 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -56.21 -42.09 76.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 1.0 109.914 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -37.75 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -97.28 -61.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.627 ' NZ ' ' CD1' ' A' ' 11' ' ' TYR . 36.6 mmtm -94.66 1.58 55.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.95 0.722 . . . . 1.0 112.95 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 m80 56.95 22.46 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.306 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 159.75 15.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.69 -45.79 20.55 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.307 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -130.68 -2.94 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.687 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 34.02 103.79 0.01 OUTLIER Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -113.73 127.02 55.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.096 -0.335 . . . . 1.0 110.096 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.585 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 45.4 m -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.443 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.7 m-85 -127.59 161.87 27.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 35.9 m-85 -92.4 130.87 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.447 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 51.1 p30 -99.05 -177.86 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.548 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.42 -30.59 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.577 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -79.4 9.4 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.638 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.66 17.27 8.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.392 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -95.19 150.81 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.19 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -86.96 106.01 17.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.651 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -88.18 123.98 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.637 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 38.9 m -82.92 109.59 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.737 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' CD1' ' A' ' 38' ' ' PHE . 20.7 mt -106.65 108.1 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.585 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 59.6 m -70.94 123.47 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.69 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.8 p30 -103.41 147.29 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 8.0 m-85 -110.37 96.85 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.233 178.422 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 76.38 -64.19 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.695 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 1.0 110.949 -179.606 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.337 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -91.75 131.54 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.201 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.633 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -139.52 135.27 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.56 137.3 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.441 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -126.02 82.17 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 58.1 mp0 -60.72 172.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.392 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.06 -0.99 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.918 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.847 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.8 m-85 -126.4 3.71 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 113.019 0.748 . . . . 1.0 113.019 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.847 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.2 Cg_endo -79.45 119.1 4.04 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.295 2.663 . . . . 1.0 109.7 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' CYS . 7.1 t -135.84 149.57 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.576 -0.449 . . . . 1.0 111.464 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -50.11 -34.03 20.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 9.5 mtmp? -60.46 -27.25 67.4 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.026 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 18' ' ' LEU . 49.1 m -65.6 -22.19 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.131 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -43.35 -16.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 1.0 109.911 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -97.64 102.6 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.313 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.16 -15.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.463 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -80.88 -47.12 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.957 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -62.34 -39.08 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.311 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.528 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 71.3 m -54.72 -59.21 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.751 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.4 p-10 -67.46 -42.2 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.563 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.8 m-85 -65.91 -52.8 46.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 1.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.56 -45.63 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.075 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 30' ' ' LYS . 81.4 m -58.14 -44.4 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.329 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -54.89 -42.62 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 1.0 109.912 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.38 -33.19 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.7 -0.682 . . . . 1.0 111.182 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -97.17 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' NZ ' ' CZ ' ' A' ' 11' ' ' TYR . 43.7 mmtm -101.84 11.39 38.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.956 0.724 . . . . 1.0 112.956 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 51.07 30.79 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.847 -0.341 . . . . 1.0 111.209 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.71 149.93 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 59.5 mmt-85 -75.07 -42.26 57.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.371 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.682 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -129.55 -6.33 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.714 -178.207 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 26.43 105.98 0.0 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -126.09 141.48 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 34.2 m -110.03 141.58 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 1.0 111.367 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CD1' HD12 ' A' ' 48' ' ' ILE . 79.3 m-85 -127.47 162.94 25.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE2' HD21 ' A' ' 45' ' ' LEU . 40.2 m-85 -93.44 125.45 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.446 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 53.9 p-10 -101.82 -169.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.565 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 48.5 mp0 -67.8 -30.9 70.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.501 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.67 3.02 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 60.92 19.68 10.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.266 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.446 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -107.46 156.08 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.227 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 23.6 mt -83.32 106.86 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.693 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -85.89 123.31 31.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.7 m -79.27 105.45 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.711 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.582 HD12 ' CD1' ' A' ' 38' ' ' PHE . 19.2 mt -106.43 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.599 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.7 m -75.49 128.02 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.571 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.717 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.2 p30 -103.14 146.74 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.121 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.633 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.2 m-85 -111.38 96.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 m 77.86 -65.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.769 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 1.0 111.02 -179.181 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.9 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.836 0.351 . . . . 1.0 110.55 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -130.56 138.6 50.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.21 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.6 mtmm -147.84 122.38 9.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -84.33 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.418 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.03 84.25 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.325 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 72.0 mm-40 -65.02 165.21 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.405 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.18 1.64 3.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.868 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.794 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 29.8 m-85 -115.44 -17.66 0.1 Allowed Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 113.023 0.749 . . . . 1.0 113.023 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 87.4 Cg_exo -44.6 115.7 0.9 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.203 2.602 . . . . 1.0 109.72 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 15' ' ' LYS . 10.9 p -137.36 149.71 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.559 -0.456 . . . . 1.0 111.492 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -55.02 -34.63 63.66 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.739 ' H ' HG22 ' A' ' 13' ' ' VAL . 49.7 mtmt -58.71 -27.59 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.062 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -69.64 -21.24 63.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.246 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -45.44 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.83 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -105.78 107.0 17.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.264 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.34 -17.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.479 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -80.3 -45.27 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.976 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.51 -40.49 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.348 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 7.1 m -52.17 -59.38 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.756 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.2 p-10 -67.19 -44.73 78.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.602 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.71 -52.96 62.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.64 -44.11 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.086 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.635 ' O ' ' N ' ' A' ' 30' ' ' LYS . 93.9 m -64.41 -42.38 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 1.0 110.327 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -52.83 -46.05 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.933 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.24 -35.16 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.226 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -97.38 -61.58 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 39.5 mmtm -96.86 -0.8 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.967 0.728 . . . . 1.0 112.967 -176.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.8 m80 61.78 35.68 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.773 -0.371 . . . . 1.0 111.251 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.53 153.5 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 60.2 mmt-85 -84.73 -50.57 7.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.334 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.562 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m -127.89 -1.43 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.72 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 55.32 137.9 0.0 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 35' ' ' GLY . 70.6 mm-40 -143.91 106.55 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 8.4 m -108.88 132.71 53.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.374 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.496 ' CD2' HD12 ' A' ' 48' ' ' ILE . 55.5 m-85 -127.93 161.67 28.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.258 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -94.13 131.94 39.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.42 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.1 p30 -101.73 -178.64 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.533 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.53 -29.23 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 13.9 mtpp -80.03 9.03 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.59 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 62.65 13.72 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.289 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.459 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -91.96 150.69 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.195 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 mt -86.58 106.63 17.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.747 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 93.3 mm-40 -77.4 113.68 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.622 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.83 101.35 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 38' ' ' PHE . 17.3 mt -107.06 103.95 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.573 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 130.27 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.52 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.747 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.1 p30 -108.99 145.51 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.222 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.9 m-85 -112.54 94.61 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.224 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.0 m 72.93 -71.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.72 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 50.6 mp0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 1.0 110.996 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 1.0 110.551 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -99.01 135.57 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.177 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -149.21 121.9 8.64 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 7' ' ' VAL . 4.1 p -84.04 141.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.372 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -114.12 89.41 3.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.322 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -71.65 162.12 29.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.425 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 70.9 1.52 3.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 1.0 109.822 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.796 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.5 m-85 -111.81 -17.18 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 112.981 0.734 . . . . 1.0 112.981 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 79.1 Cg_exo -46.7 126.33 10.59 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 123.257 2.638 . . . . 1.0 109.591 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 11' ' ' TYR . 5.6 t -133.0 141.45 44.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.485 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 t -51.29 -30.48 18.14 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' H ' HG12 ' A' ' 13' ' ' VAL . 68.8 mttm -64.67 -26.24 68.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.038 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 75.1 m -64.14 -24.0 67.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.237 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -44.89 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.929 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.0 mt -104.25 105.3 15.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.299 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.38 -16.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.43 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.637 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -80.49 -49.77 10.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -60.42 -38.2 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.387 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.655 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 78.5 m -54.22 -60.58 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.747 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.637 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.29 -42.32 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.6 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -64.93 -54.07 36.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 1.0 110.805 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.3 -43.82 97.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.105 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.8 m -59.61 -43.21 93.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.216 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -56.48 -43.12 79.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 109.918 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.98 -43.4 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -98.45 -59.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' CYS . 49.4 mttp -83.34 0.73 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.016 0.747 . . . . 1.0 113.016 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 26' ' ' CYS . 25.1 m80 55.8 16.3 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.28 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -66.74 154.31 41.06 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 21.2 mmt85 -81.27 -42.27 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.323 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -127.43 -7.47 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.727 -178.387 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.06 101.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -112.62 128.53 56.4 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.016 -0.365 . . . . 1.0 110.016 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.655 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 20.0 m -108.59 140.4 42.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 1.0 111.406 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' A' ' 48' ' ' ILE . 81.7 m-85 -130.19 162.8 28.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.302 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -92.06 130.74 37.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 54.1 p30 -103.64 -175.58 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.588 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.7 -30.3 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.522 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -79.37 8.95 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.58 17.23 8.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.309 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -96.9 151.78 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.24 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.3 mt -86.42 103.79 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.641 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -78.39 113.17 16.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 m -77.8 100.88 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.795 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.645 HD12 ' CD1' ' A' ' 38' ' ' PHE . 25.3 mt -98.16 101.33 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.594 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 76.7 m -79.33 135.79 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.523 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.754 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.8 p30 -111.99 145.13 40.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.201 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.468 ' C ' ' H ' ' A' ' 53' ' ' GLU . 15.1 m-85 -113.81 95.55 5.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.181 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 m 73.45 -26.99 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.679 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 51' ' ' TYR . 78.0 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.948 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.745 0.307 . . . . 1.0 110.541 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -96.82 134.23 40.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.641 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.5 mtmm -138.84 123.38 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.92 139.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.091 0.472 . . . . 1.0 111.423 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.49 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 9.1 m-85 -115.17 87.46 2.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.345 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 78.3 mm-40 -72.65 158.94 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.463 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 72.47 5.54 5.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.852 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.897 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.2 m-85 -116.74 -17.1 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 112.987 0.736 . . . . 1.0 112.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 76.1 Cg_exo -46.77 122.43 5.99 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.27 2.647 . . . . 1.0 109.632 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 11' ' ' TYR . 11.6 t -132.51 142.76 41.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.506 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -51.47 -32.94 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' H ' HG12 ' A' ' 13' ' ' VAL . 98.3 mttt -60.67 -26.53 67.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.928 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.5 m -64.51 -25.16 67.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -44.25 -16.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 16' ' ' CYS . 11.7 mt -101.97 104.23 14.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.322 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.0 -18.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.442 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -79.19 -48.96 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.934 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -60.31 -38.17 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.407 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 92.1 m -53.3 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.756 -0.657 . . . . 1.0 111.762 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -67.95 -44.3 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.621 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.5 m-85 -62.11 -52.56 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -64.05 -43.94 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.608 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.1 m -60.9 -42.91 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.314 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 44.4 mttm -56.78 -43.77 81.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.02 0.438 . . . . 1.0 109.963 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.46 -42.97 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -98.65 -57.49 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.055 0.761 . . . . 1.0 113.055 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 26' ' ' CYS . 84.6 mttt -87.83 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' CYS . 21.8 m80 55.92 22.5 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.848 -0.341 . . . . 1.0 111.266 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -67.38 155.74 38.21 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.541 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 23.4 mmt85 -81.14 -42.17 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.72 -0.392 . . . . 1.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.605 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -130.15 -4.06 4.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.727 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 30.24 100.72 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -113.69 128.47 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.0 m -107.21 140.91 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.378 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' A' ' 48' ' ' ILE . 83.3 m-85 -127.24 160.6 30.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.32 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 16.6 m-85 -97.89 128.16 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -103.97 -174.42 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.538 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.44 -29.75 69.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -76.25 6.79 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.559 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 60.3 14.02 4.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.438 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -94.01 150.1 20.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.159 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 35.1 mt -87.04 104.08 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.71 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 94.4 mm-40 -80.6 112.94 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.582 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 94.3 m -80.25 105.77 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 38' ' ' PHE . 60.2 mt -105.45 101.9 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.585 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 65.7 m -70.63 130.49 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.532 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.815 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.3 p30 -109.64 141.49 42.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.227 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.641 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 10.9 m-85 -110.37 96.13 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.243 177.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 75.92 -69.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.72 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.955 -179.67 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 1.0 110.578 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.03 134.65 34.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.192 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.8 mtmm -145.71 127.24 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -86.52 139.03 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.433 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -126.11 81.81 2.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.31 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.567 ' HG3' HE22 ' A' ' 46' ' ' GLN . 57.5 mp0 -60.87 169.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.465 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER 64.26 42.97 5.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 1.0 109.909 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.911 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 6.0 m-85 -154.52 -36.34 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 112.955 0.724 . . . . 1.0 112.955 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.911 ' CD ' ' H ' ' A' ' 11' ' ' TYR . 28.1 Cg_exo -61.33 142.13 94.92 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 123.224 2.616 . . . . 1.0 109.64 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' CYS . 23.1 t -136.3 159.81 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.527 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.496 ' N ' HG12 ' A' ' 13' ' ' VAL . 20.0 m -47.07 -28.16 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.21 -26.69 62.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.001 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.606 ' C ' ' H ' ' A' ' 18' ' ' LEU . 92.3 m -66.63 -18.54 65.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.241 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -48.95 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 109.948 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.4 mt -108.94 112.3 24.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.344 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.85 -15.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.639 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.1 m-20 -81.24 -48.08 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.982 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.66 -37.0 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.324 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 6.0 m -54.77 -59.66 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.71 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.639 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.0 p-10 -67.45 -41.43 84.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.622 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.6 m-85 -66.14 -51.66 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 1.0 110.865 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.18 -44.56 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.089 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 30' ' ' LYS . 99.1 m -59.87 -41.57 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 1.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -57.73 -42.88 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 1.0 109.927 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.44 -31.99 67.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.202 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.31 -61.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 1.0 113.112 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.9 mmtt -103.68 14.94 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 48.66 28.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.29 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.95 154.89 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.504 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 58.9 mmt-85 -76.9 -48.19 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.79 -0.364 . . . . 1.0 111.344 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.2 m -128.63 -3.52 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.779 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.672 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 27.31 104.36 0.0 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 52.0 mp0 -113.57 130.58 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.4 m -106.1 133.78 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.445 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.1 m-85 -125.68 161.84 26.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.319 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.455 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 10.7 m-85 -97.0 127.87 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.09 -177.1 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.555 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.49 -29.59 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.501 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -71.39 3.81 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 62.99 18.15 10.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.363 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.455 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -107.68 154.16 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.215 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 8.4 mt -86.44 120.31 27.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.667 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.567 HE22 ' HG3' ' A' ' 9' ' ' GLU . 7.9 mm100 -100.84 126.58 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.609 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' H ' ' HG3' ' A' ' 12' ' ' PRO . 61.4 m -86.34 111.15 20.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.716 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.4 mt -105.34 101.42 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.616 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -76.95 132.03 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.485 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.75 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.1 p30 -114.63 145.15 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.205 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.7 m-85 -111.39 96.56 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.279 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.504 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 m 78.77 -70.56 0.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.782 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 1.0 110.967 -179.622 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 1.0 110.591 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -98.78 129.05 45.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.175 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -139.82 116.63 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 t -84.11 130.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.417 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.22 84.33 2.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.315 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.552 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 42.4 mp0 -69.03 167.85 15.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.407 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 66.19 -2.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.877 179.526 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.784 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 8.6 m-85 -108.2 -19.65 0.15 Allowed Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.969 0.729 . . . . 1.0 112.969 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.3 Cg_endo -78.8 140.62 16.48 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 123.222 2.615 . . . . 1.0 109.668 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.559 HG12 ' N ' ' A' ' 14' ' ' SER . 40.5 t -135.75 162.23 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.503 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' HG12 ' A' ' 13' ' ' VAL . 33.7 m -46.9 -27.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.175 -0.676 . . . . 1.0 109.175 178.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -72.11 -27.09 62.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.97 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.613 ' C ' ' H ' ' A' ' 18' ' ' LEU . 90.4 m -66.21 -19.53 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.234 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -47.8 -8.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.852 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.1 mt -106.66 108.16 19.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.08 -12.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.45 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.649 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -82.73 -47.85 11.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.901 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.03 -36.76 84.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.324 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 3.9 m -57.11 -59.29 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.812 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.649 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.2 p-10 -66.81 -42.0 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.615 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -66.07 -52.49 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.773 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.109 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 70.8 m -62.81 -42.37 99.69 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -56.2 -42.99 78.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 1.0 109.998 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.44 -34.17 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.164 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -98.76 -62.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.058 0.762 . . . . 1.0 113.058 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' CYS . 58.1 mmtt -96.5 6.14 49.35 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.989 0.737 . . . . 1.0 112.989 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' CYS . 73.0 m-70 53.55 30.45 10.74 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.839 -0.344 . . . . 1.0 111.19 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 149.51 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 52' ' ' CYS . 78.0 mtt180 -76.34 -42.63 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.716 -0.394 . . . . 1.0 111.405 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.2 t -125.29 -6.82 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.715 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 19.35 104.04 0.0 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -123.58 140.08 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.12 132.09 54.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' A' ' 48' ' ' ILE . 56.1 m-85 -123.8 163.91 20.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.501 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 13.7 m-85 -92.64 122.5 35.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.444 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.71 -174.59 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 45.5 mp0 -64.74 -28.69 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.491 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -70.33 1.68 4.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 62.46 16.06 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.318 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.29 155.48 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.189 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 11.1 mt -79.33 124.7 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.728 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.401 ' NE2' ' HG3' ' A' ' 9' ' ' GLU . 7.3 mm100 -107.63 125.8 51.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.638 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.1 m -82.77 106.48 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.799 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' PHE . 17.5 mt -100.28 101.6 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.75 131.07 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.529 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.863 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 4.0 p30 -111.63 139.15 47.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.47 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 56.5 m-85 -113.69 96.43 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.208 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 33' ' ' ARG . 3.3 m 76.5 -37.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.746 176.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 1.0 110.97 -178.267 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.813 0.339 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -92.6 131.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.181 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.638 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.3 mtmm -139.74 132.12 28.44 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 t -81.74 135.09 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.507 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -125.24 79.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.295 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 54.8 mp0 -60.8 172.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.335 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.96 -3.76 2.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.892 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.803 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.4 m-85 -124.24 9.3 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 113.034 0.753 . . . . 1.0 113.034 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.803 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 90.3 Cg_endo -82.39 119.16 3.01 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 123.157 2.571 . . . . 1.0 109.681 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -135.89 152.62 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.544 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -50.86 -32.52 20.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -60.35 -27.68 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.972 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 18' ' ' LEU . 61.1 m -64.86 -24.76 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.125 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -44.01 -16.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.975 0.417 . . . . 1.0 109.905 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.2 mt -103.77 104.94 15.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.3 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.06 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.46 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.67 -46.76 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 109.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -61.84 -40.55 95.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.309 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.666 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 33.4 m -52.09 -60.22 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.803 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.9 p-10 -67.83 -43.48 79.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.674 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -63.98 -51.91 62.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 1.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.29 -47.39 79.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 87.8 m -59.2 -44.12 92.23 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.337 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.7 mtpm? -53.61 -43.44 68.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 1.0 109.967 178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.34 -34.76 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.256 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -96.7 -62.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.175 0.805 . . . . 1.0 113.175 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.614 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 65.4 mmtt -98.74 3.48 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.961 0.726 . . . . 1.0 112.961 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 58.42 29.32 18.08 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.832 -0.347 . . . . 1.0 111.235 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 153.58 41.3 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 60.8 mmt-85 -80.55 -45.64 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.289 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -129.31 -4.85 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.784 -177.806 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 38.39 104.46 0.01 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.24 122.07 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.666 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 34.9 m -107.28 138.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 48' ' ' ILE . 73.1 m-85 -130.31 163.98 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.301 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -91.38 133.72 35.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 53.1 p30 -104.71 -177.68 3.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.55 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.93 -30.37 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -80.46 11.47 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 61.3 13.24 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.305 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.6 t30 -92.93 146.82 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.25 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 27.0 mt -84.07 105.67 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -80.34 120.43 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.6 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -81.02 105.94 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 38' ' ' PHE . 19.1 mt -105.4 103.0 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.618 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.43 124.91 25.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.498 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.714 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.3 p30 -103.44 146.42 28.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.194 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.638 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.0 m-85 -110.88 96.44 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.195 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.14 -63.63 0.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.733 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 1.0 110.941 -179.108 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.35 . . . . 1.0 110.598 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -89.96 130.85 36.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.162 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -141.19 130.47 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.45 138.42 20.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 1.0 111.407 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -120.44 89.89 3.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.281 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 58.4 mp0 -67.04 171.76 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.425 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.14 -3.03 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.919 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.786 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.8 m-85 -111.21 -19.73 0.12 Allowed Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 113.021 0.749 . . . . 1.0 113.021 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 81.4 Cg_exo -45.02 113.38 0.48 Allowed 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 123.229 2.619 . . . . 1.0 109.663 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 15' ' ' LYS . 8.6 p -137.41 146.21 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.53 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -51.18 -36.66 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.752 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.0 mmtm -57.57 -26.43 61.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.936 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -72.74 -18.6 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.214 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' N ' HD13 ' A' ' 45' ' ' LEU . 11.5 pt20 -45.55 -14.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.889 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.0 mt -104.28 107.39 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.274 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.44 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.464 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -80.75 -44.37 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -64.63 -40.33 95.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.308 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 17.1 m -52.37 -59.06 4.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.719 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.8 p-10 -67.22 -45.17 77.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.607 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -59.92 -53.23 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 1.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -64.31 -43.97 93.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.057 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' LYS . 89.1 m -65.71 -43.98 87.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.801 0.334 . . . . 1.0 110.287 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 14.0 mtpp -49.1 -50.96 34.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.075 0.464 . . . . 1.0 109.93 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.19 -32.57 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.206 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -96.95 -63.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.5 mmtt -100.6 1.11 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.948 0.721 . . . . 1.0 112.948 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.4 m80 59.82 67.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.222 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . -104.79 143.69 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 25.7 mmt180 -78.49 -42.87 28.44 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.314 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.8 m -129.55 -7.52 4.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.696 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.703 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 42.15 115.67 0.0 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 30.6 mp0 -125.79 120.36 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 22.7 m -111.31 126.42 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.345 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 48' ' ' ILE . 53.2 m-85 -119.62 167.4 12.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.338 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CE2' HD21 ' A' ' 45' ' ' LEU . 24.5 m-85 -101.52 123.25 45.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.437 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 55.4 p30 -95.46 -164.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.539 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -69.68 -28.9 66.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.71 2.3 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.711 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.33 18.63 9.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.332 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.433 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -100.57 156.67 17.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.269 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 39' ' ' TYR . 28.9 mt -83.13 105.06 13.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.698 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -80.42 109.83 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.559 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.8 m -74.06 102.75 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.763 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 38' ' ' PHE . 15.7 mt -103.31 100.98 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.619 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.9 m -78.94 126.49 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.746 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.2 p30 -106.53 145.72 31.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.167 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.486 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.1 m-85 -110.91 95.85 5.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.248 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.609 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 78.02 -65.64 0.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.706 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 1.0 111.024 -179.772 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -98.27 136.54 38.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.196 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.628 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.2 mtmm -146.97 123.06 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.81 136.03 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.499 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -110.58 79.26 1.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.326 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 74.7 mm-40 -63.03 156.24 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.396 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.568 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.37 48.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.88 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 10' ' ' ASN . 6.2 m-85 -155.14 -57.4 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.1 Cg_endo -39.5 136.24 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 123.246 2.631 . . . . 1.0 109.706 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.606 HG22 ' N ' ' A' ' 14' ' ' SER . 4.6 p -138.29 163.26 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.533 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.606 ' N ' HG22 ' A' ' 13' ' ' VAL . 22.4 m -45.24 -32.53 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.572 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.2 mmtm -69.77 -27.04 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 1.0 109.944 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.588 ' N ' ' O ' ' A' ' 13' ' ' VAL . 94.5 m -67.27 -19.76 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.19 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.1 pt20 -47.98 -9.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.829 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' A' ' 16' ' ' CYS . 80.5 mt -106.53 109.28 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.225 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.9 -12.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.432 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -83.67 -49.7 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.07 -36.84 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.365 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 99.1 m -58.85 -59.82 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.778 -178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -65.12 -42.43 93.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.658 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.61 -54.16 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 1.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -62.15 -40.17 95.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.059 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 30' ' ' LYS . 73.0 m -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.33 . . . . 1.0 110.349 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -57.92 -45.1 87.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.014 0.435 . . . . 1.0 109.926 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.46 -40.84 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.139 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.68 -60.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' CYS . 81.1 mttt -84.48 4.91 29.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -177.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' CYS . 72.6 m-70 53.35 16.53 0.88 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.266 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -69.06 152.06 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 20.3 mmm180 -79.12 -42.84 25.34 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.409 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.603 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.7 t -127.17 -7.99 5.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.673 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.603 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.51 100.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -113.91 131.09 56.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.997 -0.372 . . . . 1.0 109.997 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 59.3 m -110.33 137.04 48.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.36 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CD1' HD12 ' A' ' 48' ' ' ILE . 58.0 m-85 -129.64 165.07 22.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.243 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 m-85 -93.75 130.85 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.345 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.9 p-10 -101.53 -174.71 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.565 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 47.8 mp0 -66.98 -30.18 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.69 5.16 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 62.7 17.72 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.316 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.515 ' C ' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -108.21 153.07 23.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.252 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.623 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 10.1 mt -81.41 120.59 25.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.692 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' HD21 ' A' ' 44' ' ' ASN . 82.4 mm-40 -99.06 119.87 38.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.645 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 88.5 m -82.56 104.26 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.796 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 38' ' ' PHE . 31.2 mt -99.37 100.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 95.0 m -77.56 135.35 38.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.544 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.802 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.1 p30 -111.91 143.23 43.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.4 m-85 -113.7 96.7 5.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.225 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 75.07 -35.72 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.697 176.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 51' ' ' TYR . 77.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 1.0 111.005 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 3.5 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.818 0.342 . . . . 1.0 110.477 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -102.63 140.54 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.202 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -141.33 115.26 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.79 131.22 35.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.478 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.624 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.4 m-85 -112.72 85.11 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.315 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.584 ' CD ' HE22 ' A' ' 46' ' ' GLN . 77.6 mm-40 -70.17 161.51 30.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.429 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.555 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 73.12 -0.13 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.914 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.3 m-85 -110.27 -18.21 0.13 Allowed Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 112.957 0.725 . . . . 1.0 112.957 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -47.18 124.92 9.67 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 123.277 2.651 . . . . 1.0 109.687 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 11' ' ' TYR . 5.5 t -132.71 139.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.551 -0.46 . . . . 1.0 111.501 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -51.53 -29.32 16.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' H ' HG12 ' A' ' 13' ' ' VAL . 62.8 mttp -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.013 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' A' ' 18' ' ' LEU . 85.0 m -65.7 -22.6 66.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.228 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -43.68 -16.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.893 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.6 mt -100.35 105.67 17.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.289 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.32 -18.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.448 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.644 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -78.99 -49.14 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.946 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -60.29 -39.31 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.391 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 90.1 m -52.23 -60.77 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.767 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.644 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.3 p-10 -68.08 -43.84 77.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.644 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -62.77 -54.2 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -62.7 -43.86 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.022 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.2 m -60.36 -44.38 95.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.747 0.308 . . . . 1.0 110.278 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -55.59 -44.56 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.024 0.44 . . . . 1.0 109.923 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.97 -44.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -98.15 -57.86 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.0 mttp -84.63 -1.47 56.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.915 0.709 . . . . 1.0 112.915 -176.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' CYS . 60.8 m-70 57.5 17.18 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.223 178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -68.84 154.0 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 64.3 mtt-85 -77.23 -46.58 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.384 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.7 m -128.99 -2.42 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.802 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 36.49 104.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 49.5 mp0 -109.17 123.42 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.671 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 8.0 m -106.78 128.67 54.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.375 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CD1' HD12 ' A' ' 48' ' ' ILE . 73.9 m-85 -119.54 161.23 20.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.28 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 45' ' ' LEU . 25.6 m-85 -96.86 127.96 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.413 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 48.5 p-10 -102.84 -169.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -68.8 -31.03 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.431 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -73.97 4.04 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.43 18.71 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.354 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -100.63 155.68 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.222 179.65 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.437 HD21 ' CE2' ' A' ' 39' ' ' TYR . 36.7 mt -86.27 104.31 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.584 HE22 ' CD ' ' A' ' 9' ' ' GLU . 14.3 mm100 -80.0 111.94 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.3 m -81.79 106.94 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 38' ' ' PHE . 56.0 mt -105.36 102.8 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.622 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.624 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 m -66.59 125.93 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.535 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.859 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.0 p30 -108.54 139.21 43.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.471 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 15.2 m-85 -111.45 95.45 5.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.179 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.486 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 3.3 m 76.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.65 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.7 mp0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 1.0 111.011 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.788 0.328 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -90.85 127.71 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.221 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -134.77 136.83 42.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.3 t -79.58 133.64 29.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.45 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.403 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 10.0 m-85 -123.7 79.03 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.283 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 45.7 mp0 -66.15 179.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.16 10.33 3.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.95 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.947 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -147.56 31.94 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.947 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 5.2 Cg_exo -84.08 117.34 2.21 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.267 2.645 . . . . 1.0 109.665 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 15' ' ' LYS . 6.5 t -134.59 140.82 44.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.508 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.2 m -51.79 -33.4 35.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.18 -0.674 . . . . 1.0 109.18 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.535 ' H ' HG12 ' A' ' 13' ' ' VAL . 68.6 mttm -58.42 -27.43 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.97 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.1 m -65.03 -24.91 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -43.1 -17.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.85 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' CYS . 85.2 mt -98.72 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.284 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.95 -16.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.417 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -79.92 -47.46 15.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.47 -39.21 92.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.352 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.545 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 95.0 m -52.93 -59.44 4.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.701 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.8 p-10 -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.541 -177.276 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.7 m-85 -64.85 -51.05 64.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.814 0.34 . . . . 1.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -64.21 -47.26 80.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.7 m -56.79 -45.38 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.317 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -55.25 -41.74 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.024 0.44 . . . . 1.0 109.948 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.1 mt -71.42 -36.31 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.212 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.39 -62.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.625 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 41.2 mmtm -95.56 2.74 54.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.033 0.753 . . . . 1.0 113.033 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 57.24 25.05 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.799 -0.36 . . . . 1.0 111.199 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.09 153.47 37.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mmt-85 -75.28 -43.29 52.03 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.718 -0.393 . . . . 1.0 111.388 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.646 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -131.32 -1.85 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.743 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.646 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.23 103.59 0.01 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 79.1 mm-40 -116.87 131.18 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.042 -0.355 . . . . 1.0 110.042 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.9 m -106.8 142.46 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.003 0.43 . . . . 1.0 111.383 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 48' ' ' ILE . 86.0 m-85 -130.05 162.42 28.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.315 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CE2' HD21 ' A' ' 45' ' ' LEU . 57.9 m-85 -94.38 125.44 39.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.378 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 41.6 p-10 -99.65 -169.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.659 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 7.1 pm0 -71.04 -29.35 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.481 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' ' HZ2' ' A' ' 42' ' ' LYS . 9.1 mtmp? -75.32 4.38 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 61.75 18.87 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.299 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.44 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -103.17 155.85 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.233 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 39' ' ' TYR . 39.0 mt -86.31 106.18 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.674 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.411 HE22 ' HG3' ' A' ' 9' ' ' GLU . 10.8 mm100 -83.39 119.33 24.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.608 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 32.9 m -78.42 104.56 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.756 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.629 HD12 ' CD1' ' A' ' 38' ' ' PHE . 16.2 mt -105.01 106.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.6 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 61.1 m -73.43 125.11 27.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.539 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.4 p30 -103.58 146.84 27.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.2 m-85 -109.78 97.2 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.244 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.477 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.55 -63.11 0.39 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.712 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 1.0 110.953 -179.632 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -92.42 136.78 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.181 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -140.93 127.52 20.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -84.1 132.41 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.431 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.75 89.27 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.323 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.752 ' CD ' HE22 ' A' ' 46' ' ' GLN . 70.5 mm-40 -68.88 173.8 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.438 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 71.84 -1.75 2.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.835 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.919 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m-85 -113.78 -14.97 0.11 Allowed Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 112.942 0.719 . . . . 1.0 112.942 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.805 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.9 Cg_exo -48.41 118.87 3.58 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 123.266 2.644 . . . . 1.0 109.712 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 11' ' ' TYR . 13.9 t -132.62 141.39 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.52 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 m -49.81 -32.52 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' H ' HG12 ' A' ' 13' ' ' VAL . 62.7 mttp -62.74 -27.98 69.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.609 -0.723 . . . . 1.0 109.986 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 18' ' ' LEU . 70.9 m -63.85 -18.46 64.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.178 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' N ' HD13 ' A' ' 45' ' ' LEU . 13.2 pt20 -43.38 -16.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 1.0 109.874 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -103.3 104.2 14.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.215 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.97 -15.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.521 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.576 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -81.65 -42.36 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.022 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' LEU . 70.4 mm-40 -64.39 -41.21 96.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.375 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.627 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 5.7 m -54.94 -59.7 4.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.733 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.576 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.7 p-10 -63.95 -42.83 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.619 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -65.53 -48.0 73.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 1.0 110.88 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.4 -43.9 96.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.122 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.9 m -57.44 -45.3 84.85 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.303 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -54.8 -42.61 72.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.888 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -39.15 72.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.192 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -96.97 -61.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 62.1 mmtt -92.32 4.11 54.02 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -176.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' CYS . 61.8 m-70 57.94 17.46 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.288 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 173.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.854 -0.425 . . . . 1.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 76.6 mtt85 -100.28 -68.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.344 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' ' O ' ' A' ' 35' ' ' GLY . 6.9 t -130.31 31.73 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.773 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -40.16 170.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 51.8 mp0 -146.09 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.627 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 1.9 m -110.31 135.62 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.347 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.631 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.0 m-85 -123.22 163.63 20.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CE2' HD21 ' A' ' 45' ' ' LEU . 78.4 m-85 -96.58 130.91 43.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.442 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 43.3 p-10 -104.9 -163.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.637 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 2.2 pm0 -74.18 -33.17 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.501 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -73.88 5.97 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 60.56 18.44 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.335 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.437 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -98.67 155.29 17.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.289 179.592 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 17' ' ' GLN . 20.4 mt -86.18 102.73 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.684 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.752 HE22 ' CD ' ' A' ' 9' ' ' GLU . 8.1 mm100 -79.26 115.44 18.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.609 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 m -81.58 111.76 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.8 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.631 HD12 ' CD1' ' A' ' 38' ' ' PHE . 33.8 mt -106.17 102.79 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.579 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.7 m -73.54 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.551 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.735 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.4 p30 -106.74 146.55 30.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.239 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.481 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.9 m-85 -111.49 98.42 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.201 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.37 -59.64 0.46 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.741 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 1.0 110.935 -179.254 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.768 0.318 . . . . 1.0 110.526 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -90.67 131.29 36.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.181 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -140.28 130.7 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.48 131.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.439 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -114.87 78.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.33 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 77.6 mm-40 -62.76 172.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.481 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.552 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.83 10.37 3.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.905 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.968 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 57.8 m-85 -142.87 29.02 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.966 0.728 . . . . 1.0 112.966 179.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.968 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.3 Cg_endo -86.67 117.33 1.43 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 123.323 2.682 . . . . 1.0 109.635 176.515 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG12 ' H ' ' A' ' 15' ' ' LYS . 7.7 t -135.52 145.31 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.415 . . . . 1.0 111.497 -177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -52.03 -34.13 41.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.5 ' H ' HG12 ' A' ' 13' ' ' VAL . 98.8 mttt -58.29 -27.43 64.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.981 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' LEU . 33.8 m -63.62 -26.75 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.22 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -43.61 -16.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.959 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.9 mt -99.74 102.09 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.09 -15.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.671 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -81.63 -46.52 14.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -62.46 -39.18 92.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.344 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.619 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 77.8 m -55.65 -58.66 6.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.717 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.671 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.07 -42.54 84.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.588 -177.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.1 m-85 -66.01 -52.36 50.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 1.0 110.844 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -62.59 -45.1 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.037 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.2 m -57.97 -44.28 86.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.333 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -55.69 -42.15 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 1.0 109.906 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.28 -37.61 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.205 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -98.02 -61.93 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -177.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.611 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 36.7 mmtm -93.59 4.11 54.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' CYS . 29.8 m80 55.93 21.01 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.279 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -64.26 150.67 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HE ' ' N ' ' A' ' 52' ' ' CYS . 57.4 mtt-85 -72.7 -46.36 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.729 -0.388 . . . . 1.0 111.447 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.694 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.3 t -129.61 -1.52 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.754 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.694 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 28.76 105.99 0.0 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 22.5 mp0 -116.74 132.91 56.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.004 -0.369 . . . . 1.0 110.004 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.619 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.6 m -107.06 140.65 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.428 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 48' ' ' ILE . 89.5 m-85 -126.73 161.27 28.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.293 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.492 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.7 m-85 -96.58 123.72 40.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.94 -176.51 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.525 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -63.65 -29.26 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -76.86 5.3 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.572 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 61.51 18.39 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.317 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.56 151.81 20.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.247 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 24.0 mt -89.14 105.09 17.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 1.0 110.718 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 9' ' ' GLU . 63.9 mm-40 -87.31 125.78 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.602 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.8 m -83.3 108.21 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.706 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 38' ' ' PHE . 20.0 mt -105.36 104.48 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.571 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.3 m -77.15 132.71 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.551 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.755 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.5 p30 -108.87 146.0 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.63 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 12.6 m-85 -113.49 98.77 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.243 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.69 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 3.7 m 79.65 -71.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.718 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 1.0 110.999 -179.413 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.77 0.319 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -87.88 136.36 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.217 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HZ2' ' HB3' ' A' ' 6' ' ' LYS . 15.2 mtpp -142.22 123.86 15.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.35 138.92 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.458 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -118.4 90.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.358 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -70.99 165.35 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 70.26 -0.0 3.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.114 -0.494 . . . . 1.0 109.939 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m-85 -111.78 -17.08 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 113.002 0.741 . . . . 1.0 113.002 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 77.3 Cg_exo -47.1 125.39 10.14 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.274 2.649 . . . . 1.0 109.645 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.1 t -132.73 143.12 40.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.651 -0.42 . . . . 1.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -51.02 -29.61 12.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.543 ' H ' HG12 ' A' ' 13' ' ' VAL . 92.3 mttt -66.95 -26.14 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.0 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' LEU . 82.2 m -59.61 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -45.57 -15.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 1.0 109.908 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.5 mt -104.55 101.72 11.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.293 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.72 -14.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.42 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.705 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 89.1 m-20 -84.42 -45.7 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.916 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -62.49 -40.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.326 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.585 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -58.6 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.79 -178.019 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.705 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.3 p-10 -63.67 -43.12 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.653 -177.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.99 -53.46 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 1.0 110.888 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -61.91 -43.99 97.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 68.6 m -58.34 -45.87 87.31 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.291 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 36.3 mttp -52.79 -42.05 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 1.0 109.935 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -71.08 -44.12 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.35 -60.08 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.087 0.773 . . . . 1.0 113.087 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 26' ' ' CYS . 47.0 mttp -84.76 -1.86 56.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -176.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' CYS . 28.1 m80 57.29 20.58 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.86 -0.336 . . . . 1.0 111.219 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -67.26 151.65 47.12 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 31.4 mmt180 -81.87 -37.59 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.789 -0.364 . . . . 1.0 111.333 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.622 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -131.38 -7.09 3.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.742 -178.605 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.7 103.01 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 34.9 mp0 -106.52 136.56 46.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.585 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -112.29 136.23 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.385 -179.445 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.694 ' CD1' HD12 ' A' ' 48' ' ' ILE . 90.9 m-85 -132.34 161.56 33.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.315 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.83 134.02 37.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.433 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -105.64 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.636 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 46.8 mp0 -66.39 -30.23 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.625 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -80.06 11.03 3.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.659 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 61.06 14.08 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.301 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -93.65 151.71 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.206 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.1 mt -87.08 104.57 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.728 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -78.58 113.29 16.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.588 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.99 102.0 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.694 HD12 ' CD1' ' A' ' 38' ' ' PHE . 32.2 mt -98.73 101.26 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.573 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.472 ' HG ' ' HD3' ' A' ' 30' ' ' LYS . 81.8 m -78.75 134.25 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.519 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.756 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.8 p30 -106.44 147.11 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.9 m-85 -112.1 99.23 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.257 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.511 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 m 79.02 -56.75 0.44 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.694 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 1.0 110.945 -179.007 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.855 0.36 . . . . 1.0 110.584 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -131.97 141.28 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.226 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -152.09 124.0 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.39 140.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.45 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 18.6 m-85 -118.34 90.46 3.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 56.2 mp0 -71.61 163.04 28.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.439 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.31 2.88 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 1.0 109.933 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.894 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.4 m-85 -114.2 -19.75 0.11 Allowed Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 113.044 0.757 . . . . 1.0 113.044 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -46.36 115.91 1.34 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 123.276 2.65 . . . . 1.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 11' ' ' TYR . 85.3 t -133.6 145.04 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.545 -0.462 . . . . 1.0 111.452 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.9 t -49.8 -39.9 39.86 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.726 ' H ' HG12 ' A' ' 13' ' ' VAL . 25.2 pttt -54.99 -26.67 38.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.041 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.1 m -65.4 -25.21 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.241 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -43.94 -16.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.892 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.7 mt -100.39 104.53 15.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.301 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.14 -18.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.404 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.647 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -78.01 -50.15 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.928 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -59.94 -38.47 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.264 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.646 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 84.3 m -51.67 -61.62 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.755 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.647 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.5 p-10 -68.38 -43.94 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.608 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.6 m-85 -62.27 -54.24 43.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 1.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -62.7 -44.41 96.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.112 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.592 ' O ' ' N ' ' A' ' 30' ' ' LYS . 64.9 m -58.68 -43.38 89.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.294 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 41.0 mttm -56.27 -42.9 78.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 1.0 109.9 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.85 -43.75 71.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.189 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -98.4 -57.92 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.141 0.793 . . . . 1.0 113.141 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.4 mttp -86.07 -3.63 58.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.018 0.747 . . . . 1.0 113.018 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.1 m-70 58.07 19.43 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.19 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.437 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -65.37 156.1 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.52 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 85.9 mtt-85 -83.67 -40.99 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.726 -0.389 . . . . 1.0 111.293 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.612 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -129.9 -4.26 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.771 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.612 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.87 102.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 78.3 mm-40 -111.49 124.34 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.646 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.6 m -107.0 138.83 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.335 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 48' ' ' ILE . 78.1 m-85 -129.47 163.88 24.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.271 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -94.37 132.34 39.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -103.87 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.67 -30.37 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.72 9.68 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.57 16.97 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.305 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -95.19 150.51 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.243 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.92 104.02 15.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.696 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -78.89 112.93 16.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.636 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 m -78.6 103.82 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.761 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 38' ' ' PHE . 32.7 mt -104.65 101.87 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.588 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 64.6 m -70.18 127.84 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.52 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.748 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.2 p30 -111.92 144.94 40.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.109 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.423 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 16.6 m-85 -112.38 94.55 4.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.205 177.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 2.9 m 72.02 -69.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.71 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.918 -179.068 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.875 0.369 . . . . 1.0 110.584 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -93.26 134.15 35.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -143.31 134.87 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.15 139.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.454 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -119.22 87.56 2.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.314 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 57.1 mp0 -66.95 165.04 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.425 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.545 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.12 0.92 3.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.871 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.788 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 28.6 m-85 -115.88 -19.99 0.1 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.788 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.6 Cg_exo -46.8 116.28 1.59 Allowed 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 123.248 2.632 . . . . 1.0 109.643 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 11' ' ' TYR . 4.7 m -138.05 149.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.627 -0.429 . . . . 1.0 111.527 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 25.5 t -54.64 -25.2 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.59 -29.93 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.058 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' LEU . 56.2 m -68.6 -20.76 64.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.8 pt20 -44.79 -15.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 1.0 109.927 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -104.19 105.18 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.324 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.58 -16.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.474 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.651 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.4 m-20 -81.06 -47.14 13.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.973 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -61.17 -39.01 88.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.328 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.72 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 68.1 m -54.52 -59.99 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.73 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.651 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.19 -42.74 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.63 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -65.0 -53.65 42.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 1.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.36 -44.76 95.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.076 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.3 m -58.72 -44.2 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 1.0 110.348 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.3 mtpm? -55.31 -42.9 74.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.984 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.91 -43.64 67.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.138 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -97.96 -59.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.2 mttp -84.85 -0.89 55.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . 63.2 m-70 57.17 17.46 3.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.768 -0.373 . . . . 1.0 111.27 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -66.48 152.41 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 12.0 mmm180 -79.09 -40.74 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.778 -0.369 . . . . 1.0 111.344 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.636 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -128.72 -7.11 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.734 -178.174 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.02 102.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -115.35 133.46 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.06 -0.348 . . . . 1.0 110.06 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.72 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 23.2 m -110.5 141.76 43.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 1.0 111.361 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' HD12 ' A' ' 48' ' ' ILE . 79.7 m-85 -131.29 165.24 23.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.318 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 28.7 m-85 -97.84 130.55 44.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.383 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 52.5 p-10 -107.17 -169.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.508 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -68.63 -30.31 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.493 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -74.6 6.3 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.608 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 58.9 15.2 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.322 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -99.82 155.66 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.197 179.452 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -85.45 104.44 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.701 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -79.64 116.37 19.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.624 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.8 m -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.782 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.59 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.0 mt -102.91 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.634 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.56 ' HG ' ' HD3' ' A' ' 30' ' ' LYS . 78.7 m -77.72 132.31 38.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.564 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.723 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.9 p30 -106.1 146.41 30.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.191 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.484 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.1 m-85 -111.99 97.43 6.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.484 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 77.83 -65.12 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.717 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.0 111.005 -178.72 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 1.0 110.551 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.47 130.03 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.174 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -138.19 128.52 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.36 136.21 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.469 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 9' ' ' GLU . 13.8 m-85 -135.05 79.31 1.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.338 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 40.9 mp0 -60.45 -141.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.432 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 47.5 m-20 42.97 16.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.958 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.9 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 32.0 m-85 -153.37 32.94 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 112.99 0.737 . . . . 1.0 112.99 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.9 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.2 Cg_endo -90.06 115.17 0.56 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.303 2.669 . . . . 1.0 109.689 176.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 15' ' ' LYS . 5.8 t -137.7 146.32 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.515 -177.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.4 p -54.14 -30.62 49.73 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' H ' HG12 ' A' ' 13' ' ' VAL . 64.6 mttm -63.89 -29.33 70.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.0 m -65.08 -19.85 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -42.62 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.869 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 71.7 mt -96.51 103.87 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.376 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.2 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.501 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.573 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.53 -45.26 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 63.3 mm-40 -62.2 -40.46 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.34 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.59 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 4.0 m -53.55 -60.51 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.734 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.573 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.4 p-10 -65.42 -43.99 88.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.42 -0.355 . . . . 1.0 111.583 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.16 -48.14 79.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 1.0 110.838 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.81 -43.69 97.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.054 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.603 ' O ' ' N ' ' A' ' 30' ' ' LYS . 94.1 m -57.65 -45.75 85.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.817 0.341 . . . . 1.0 110.365 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -54.85 -44.64 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.046 0.451 . . . . 1.0 109.996 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.14 -39.14 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.08 -59.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.132 0.79 . . . . 1.0 113.132 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' A' ' 26' ' ' CYS . 65.8 mmtt -93.8 3.33 55.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.002 0.742 . . . . 1.0 113.002 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' CYS . 26.7 m80 57.94 19.47 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.265 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.45 176.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.884 -0.413 . . . . 1.0 109.884 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 80.4 mtt-85 -99.1 -69.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.779 -0.368 . . . . 1.0 111.375 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.576 ' O ' ' O ' ' A' ' 35' ' ' GLY . 58.8 m -131.51 31.6 4.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.741 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -39.36 168.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 51.0 mp0 -145.64 161.09 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.59 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 5.7 m -106.38 135.62 47.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.408 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PHE . . . . . 0.667 ' CD1' HD12 ' A' ' 48' ' ' ILE . 91.5 m-85 -122.13 161.89 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.236 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 45' ' ' LEU . 89.0 m-85 -93.78 126.64 39.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.458 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -94.83 -168.56 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.524 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -67.83 -34.63 77.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.05 9.6 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 61.85 18.58 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.04 149.21 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.288 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 39' ' ' TYR . 30.5 mt -83.53 102.56 12.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.77 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -86.11 122.04 29.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.611 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 57.6 m -83.64 114.58 21.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.751 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.667 HD12 ' CD1' ' A' ' 38' ' ' PHE . 33.2 mt -109.55 109.55 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.3 m -73.67 124.96 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.755 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.0 p30 -104.8 146.51 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.181 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 m-85 -110.34 97.92 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.203 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.42 -70.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.702 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 1.0 110.961 -179.082 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.811 0.338 . . . . 1.0 110.549 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.18 -36.95 73.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.493 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.3 m -93.79 -1.54 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.578 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.09 141.44 48.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -143.11 113.97 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.537 -0.542 . . . . 1.0 109.537 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.426 ' CG1' ' OE2' ' A' ' 9' ' ' GLU . 15.6 t -82.38 129.33 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.458 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.412 ' CE2' ' SG ' ' A' ' 49' ' ' CYS . 59.3 m-85 -115.06 77.8 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.282 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.699 ' HA ' HE22 ' A' ' 46' ' ' GLN . 53.6 mp0 -63.61 -9.88 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 m-20 -91.27 17.92 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.825 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -152.58 41.21 0.19 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 112.962 0.727 . . . . 1.0 112.962 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.825 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.1 Cg_endo -89.09 116.99 0.79 Allowed 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.246 2.631 . . . . 1.0 109.652 176.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -134.61 140.97 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.508 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -53.58 -32.26 50.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' H ' HG12 ' A' ' 13' ' ' VAL . 89.8 mttt -58.98 -26.73 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.019 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.3 m -65.66 -24.74 67.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.201 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -42.26 -18.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.885 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 84.8 mt -97.52 105.14 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.287 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.8 -18.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.646 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -78.59 -48.42 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.984 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -60.85 -39.39 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.373 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.697 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 92.4 m -51.92 -60.52 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.734 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.646 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.4 p-10 -68.59 -42.69 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.632 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -64.2 -52.92 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 1.0 110.788 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -63.22 -46.22 88.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.066 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 75.1 m -57.82 -45.33 86.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.324 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -55.22 -41.84 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.074 0.464 . . . . 1.0 109.904 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.16 -37.07 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -97.39 -61.18 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.629 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 54.6 mmtt -96.34 6.21 49.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.978 0.733 . . . . 1.0 112.978 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.1 m80 52.82 27.62 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.227 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.99 152.04 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' NH1' ' SG ' ' A' ' 52' ' ' CYS . 78.2 mtt180 -76.05 -41.85 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.74 -0.384 . . . . 1.0 111.401 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.613 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -130.14 -3.64 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.711 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.613 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.64 101.53 0.01 OUTLIER Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -116.71 129.18 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.697 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 17.0 m -104.51 141.19 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.416 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CD1' HD12 ' A' ' 48' ' ' ILE . 83.1 m-85 -128.34 160.63 31.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.273 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.447 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 21.5 m-85 -93.73 125.94 38.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 46.6 p-10 -99.44 -171.42 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.574 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 53.0 mp0 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -73.65 4.08 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.41 19.52 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.359 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.456 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -103.8 155.15 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.193 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.3 mt -85.95 107.7 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.737 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.699 HE22 ' HA ' ' A' ' 9' ' ' GLU . 5.0 mm100 -87.66 122.35 31.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.609 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.63 107.99 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.612 HD12 ' CD1' ' A' ' 38' ' ' PHE . 17.7 mt -108.65 103.41 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.648 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 8' ' ' TYR . 35.1 m -68.22 126.49 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.529 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.843 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 p30 -108.82 139.15 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.167 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.443 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 20.3 m-85 -112.27 94.7 5.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.27 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.589 ' SG ' ' NH1' ' A' ' 33' ' ' ARG . 3.0 m 73.38 -69.12 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.725 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.6 mp0 -70.77 144.06 51.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 1.0 110.993 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.52 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.779 0.323 . . . . 1.0 110.644 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -61.9 -25.85 67.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.515 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m -51.75 -24.74 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.562 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -97.26 134.82 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.189 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 9.7 mtmp? -140.49 123.01 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.67 129.86 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.466 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD1' ' CE ' ' A' ' 30' ' ' LYS . 36.3 m-85 -107.12 76.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.315 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 52.4 mp0 -62.84 -9.22 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.39 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.529 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.0 m-20 -91.32 18.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 1.0 109.908 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.833 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 71.3 m-85 -153.02 40.94 0.18 Allowed Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.94 0.718 . . . . 1.0 112.94 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.833 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.1 Cg_endo -87.47 117.06 1.19 Allowed 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.22 2.614 . . . . 1.0 109.636 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.7 t -134.49 143.02 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.535 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -51.69 -33.95 36.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' H ' HG12 ' A' ' 13' ' ' VAL . 35.3 mtmm -59.44 -27.02 65.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.666 -0.697 . . . . 1.0 109.966 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 55.5 m -63.43 -24.95 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.18 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -44.25 -15.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.86 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.8 mt -101.47 103.49 14.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.289 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.8 -15.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.441 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.662 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -80.32 -47.66 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -61.51 -38.52 87.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.346 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 29.6 m -53.76 -60.08 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.689 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.662 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.8 p-10 -67.65 -42.05 82.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 1.0 111.603 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.409 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -65.26 -53.54 42.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.834 0.35 . . . . 1.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -62.21 -44.95 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 1.0 111.111 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 30' ' ' LYS . 65.9 m -57.35 -44.06 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.347 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 47.0 mttm -56.34 -40.68 74.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.126 0.488 . . . . 1.0 110.009 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.28 -39.47 71.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.185 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -98.57 -61.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.115 0.783 . . . . 1.0 113.115 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.636 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 39.5 mmtm -90.8 2.98 55.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.98 0.733 . . . . 1.0 112.98 -177.029 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' CYS . 23.1 m80 53.93 21.12 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.841 -0.343 . . . . 1.0 111.211 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.42 153.77 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 20.5 mmt85 -78.88 -41.22 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.371 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.638 ' O ' ' O ' ' A' ' 35' ' ' GLY . 4.5 t -128.87 -4.02 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.755 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.638 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 22.95 102.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.56 134.59 54.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.992 -0.373 . . . . 1.0 109.992 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.61 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 66.3 m -107.68 143.65 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.446 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.714 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.2 m-85 -132.66 163.92 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.285 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -90.08 130.37 36.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.393 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.0 p30 -99.76 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.511 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.5 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -79.92 10.19 4.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.582 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 61.2 17.38 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.299 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -97.14 151.34 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.241 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.4 mt -87.49 105.73 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -87.64 125.92 34.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.594 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.6 m -82.57 106.19 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.714 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.7 mt -98.62 102.18 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -83.14 135.63 34.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.571 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.786 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.1 p30 -114.81 143.99 44.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.197 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' ' 53' ' ' GLU . 10.7 m-85 -113.5 95.39 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.232 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 71.84 -29.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.767 177.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 51' ' ' TYR . 79.0 mm-40 -126.31 121.59 33.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.006 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.581 179.626 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.337 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -85.35 148.53 25.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 m -53.54 -27.79 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.21 128.04 36.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.158 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.3 mtmm -135.55 130.68 34.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.66 135.51 27.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.427 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 11.0 m-85 -132.31 77.45 1.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.325 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 11' ' ' TYR . 38.9 mp0 -63.24 -142.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.428 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.561 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 39.6 m-20 45.67 13.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.851 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.874 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-85 -153.86 36.1 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 113.013 0.746 . . . . 1.0 113.013 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.874 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.7 Cg_endo -88.01 115.68 0.96 Allowed 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 123.271 2.647 . . . . 1.0 109.697 175.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -136.02 145.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.654 -0.419 . . . . 1.0 111.501 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -54.44 -33.17 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.444 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 9.4 mtmp? -59.66 -27.12 66.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.052 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 38.7 m -64.33 -24.69 67.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -43.33 -17.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 1.0 109.893 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 86.3 mt -98.12 104.67 16.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.71 -17.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.422 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.667 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -79.44 -47.01 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -61.29 -38.62 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.343 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.585 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 36.1 m -54.44 -58.98 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.771 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.667 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 7.2 p-10 -67.81 -43.46 79.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.606 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.474 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -64.08 -53.09 55.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.333 . . . . 1.0 110.882 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.31 -45.15 94.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.045 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 61.4 m -56.63 -45.46 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 1.0 110.348 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -56.21 -42.09 76.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 1.0 109.914 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -37.75 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -97.28 -61.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.627 ' NZ ' ' CD1' ' A' ' 11' ' ' TYR . 36.6 mmtm -94.66 1.58 55.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.95 0.722 . . . . 1.0 112.95 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 m80 56.95 22.46 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.306 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 159.75 15.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.69 -45.79 20.55 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.307 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -130.68 -2.94 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.687 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 34.02 103.79 0.01 OUTLIER Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -113.73 127.02 55.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.096 -0.335 . . . . 1.0 110.096 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 45.4 m -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.443 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.7 m-85 -127.59 161.87 27.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 35.9 m-85 -92.4 130.87 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.447 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 51.1 p30 -99.05 -177.86 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.548 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.42 -30.59 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.577 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -79.4 9.4 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.638 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.66 17.27 8.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.392 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -95.19 150.81 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.19 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -86.96 106.01 17.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.651 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -88.18 123.98 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.637 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 38.9 m -82.92 109.59 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.737 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' CD1' ' A' ' 38' ' ' PHE . 20.7 mt -106.65 108.1 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.585 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 59.6 m -70.94 123.47 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.69 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.8 p30 -103.41 147.29 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 8.0 m-85 -110.37 96.85 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.233 178.422 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 76.38 -64.19 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.695 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -79.77 114.54 18.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 1.0 110.949 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.547 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.5 p30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.777 0.322 . . . . 1.0 110.598 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -87.16 146.37 26.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.544 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m -56.69 -26.53 56.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.589 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -91.75 131.54 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.201 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.633 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -139.52 135.27 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.56 137.3 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.441 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -126.02 82.17 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 58.1 mp0 -60.72 172.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.392 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.06 -0.99 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.918 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.847 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.8 m-85 -126.4 3.71 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 113.019 0.748 . . . . 1.0 113.019 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.847 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.2 Cg_endo -79.45 119.1 4.04 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.295 2.663 . . . . 1.0 109.7 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' CYS . 7.1 t -135.84 149.57 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.576 -0.449 . . . . 1.0 111.464 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -50.11 -34.03 20.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 9.5 mtmp? -60.46 -27.25 67.4 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.026 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 18' ' ' LEU . 49.1 m -65.6 -22.19 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.131 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -43.35 -16.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 1.0 109.911 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -97.64 102.6 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.313 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.16 -15.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.463 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -80.88 -47.12 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.957 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -62.34 -39.08 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.311 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.528 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 71.3 m -54.72 -59.21 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.751 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.4 p-10 -67.46 -42.2 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.563 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.8 m-85 -65.91 -52.8 46.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 1.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.56 -45.63 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.075 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 30' ' ' LYS . 81.4 m -58.14 -44.4 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.329 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -54.89 -42.62 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 1.0 109.912 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.38 -33.19 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.7 -0.682 . . . . 1.0 111.182 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -97.17 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' NZ ' ' CZ ' ' A' ' 11' ' ' TYR . 43.7 mmtm -101.84 11.39 38.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.956 0.724 . . . . 1.0 112.956 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 51.07 30.79 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.847 -0.341 . . . . 1.0 111.209 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.71 149.93 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 59.5 mmt-85 -75.07 -42.26 57.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.371 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.682 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -129.55 -6.33 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.714 -178.207 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 26.43 105.98 0.0 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -126.09 141.48 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 34.2 m -110.03 141.58 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 1.0 111.367 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CD1' HD12 ' A' ' 48' ' ' ILE . 79.3 m-85 -127.47 162.94 25.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE2' HD21 ' A' ' 45' ' ' LEU . 40.2 m-85 -93.44 125.45 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.446 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 53.9 p-10 -101.82 -169.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.565 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 48.5 mp0 -67.8 -30.9 70.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.501 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.67 3.02 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 60.92 19.68 10.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.266 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.446 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -107.46 156.08 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.227 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 23.6 mt -83.32 106.86 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.693 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -85.89 123.31 31.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.7 m -79.27 105.45 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.711 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.582 HD12 ' CD1' ' A' ' 38' ' ' PHE . 19.2 mt -106.43 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.599 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.7 m -75.49 128.02 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.571 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.717 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.2 p30 -103.14 146.74 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.121 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.633 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.2 m-85 -111.38 96.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 m 77.86 -65.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.769 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -79.66 125.34 29.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 1.0 111.02 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 54' ' ' TYR . 28.7 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.574 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.9 p30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.785 0.326 . . . . 1.0 110.568 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.87 -36.05 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.568 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.9 m -80.33 14.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.55 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' NZ ' ' C ' ' A' ' 54' ' ' TYR . 68.4 mmtt -130.56 138.6 50.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.21 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.6 mtmm -147.84 122.38 9.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -84.33 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.418 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.03 84.25 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.325 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 72.0 mm-40 -65.02 165.21 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.405 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.18 1.64 3.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.868 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.794 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 29.8 m-85 -115.44 -17.66 0.1 Allowed Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 113.023 0.749 . . . . 1.0 113.023 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 87.4 Cg_exo -44.6 115.7 0.9 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.203 2.602 . . . . 1.0 109.72 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 15' ' ' LYS . 10.9 p -137.36 149.71 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.559 -0.456 . . . . 1.0 111.492 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -55.02 -34.63 63.66 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.739 ' H ' HG22 ' A' ' 13' ' ' VAL . 49.7 mtmt -58.71 -27.59 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.062 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -69.64 -21.24 63.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.246 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -45.44 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.83 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -105.78 107.0 17.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.264 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.34 -17.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.479 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -80.3 -45.27 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.976 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.51 -40.49 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.348 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 7.1 m -52.17 -59.38 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.756 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.2 p-10 -67.19 -44.73 78.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.602 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.71 -52.96 62.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.64 -44.11 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.086 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.635 ' O ' ' N ' ' A' ' 30' ' ' LYS . 93.9 m -64.41 -42.38 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 1.0 110.327 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -52.83 -46.05 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.933 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.24 -35.16 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.226 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -97.38 -61.58 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 39.5 mmtm -96.86 -0.8 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.967 0.728 . . . . 1.0 112.967 -176.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.8 m80 61.78 35.68 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.773 -0.371 . . . . 1.0 111.251 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.53 153.5 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 60.2 mmt-85 -84.73 -50.57 7.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.334 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.562 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m -127.89 -1.43 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.72 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 55.32 137.9 0.0 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 35' ' ' GLY . 70.6 mm-40 -143.91 106.55 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 8.4 m -108.88 132.71 53.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.374 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.496 ' CD2' HD12 ' A' ' 48' ' ' ILE . 55.5 m-85 -127.93 161.67 28.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.258 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -94.13 131.94 39.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.42 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.1 p30 -101.73 -178.64 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.533 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.53 -29.23 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 13.9 mtpp -80.03 9.03 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.59 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 62.65 13.72 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.289 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.459 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -91.96 150.69 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.195 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 mt -86.58 106.63 17.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.747 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 93.3 mm-40 -77.4 113.68 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.622 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.83 101.35 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 38' ' ' PHE . 17.3 mt -107.06 103.95 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.573 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 130.27 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.52 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.747 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.1 p30 -108.99 145.51 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.222 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.9 m-85 -112.54 94.61 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.224 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.0 m 72.93 -71.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.72 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 50.6 mp0 -71.93 115.64 11.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 1.0 110.996 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' C ' ' NZ ' ' A' ' 5' ' ' LYS . 92.4 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.57 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.0 p30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.334 . . . . 1.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 5' ' ' LYS . 32.2 mmtm -80.7 161.89 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.54 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' SG ' ' C ' ' A' ' 3' ' ' LYS . 2.3 m 70.48 -11.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.551 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 3' ' ' LYS . 41.3 mmtm -99.01 135.57 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.177 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -149.21 121.9 8.64 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 7' ' ' VAL . 4.1 p -84.04 141.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.372 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -114.12 89.41 3.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.322 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -71.65 162.12 29.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.425 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 70.9 1.52 3.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 1.0 109.822 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.796 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.5 m-85 -111.81 -17.18 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 112.981 0.734 . . . . 1.0 112.981 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 79.1 Cg_exo -46.7 126.33 10.59 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 123.257 2.638 . . . . 1.0 109.591 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 11' ' ' TYR . 5.6 t -133.0 141.45 44.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.485 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 t -51.29 -30.48 18.14 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' H ' HG12 ' A' ' 13' ' ' VAL . 68.8 mttm -64.67 -26.24 68.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.038 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 75.1 m -64.14 -24.0 67.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.237 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -44.89 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.929 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.0 mt -104.25 105.3 15.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.299 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.38 -16.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.43 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.637 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -80.49 -49.77 10.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -60.42 -38.2 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.387 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.655 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 78.5 m -54.22 -60.58 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.747 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.637 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.29 -42.32 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.6 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -64.93 -54.07 36.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 1.0 110.805 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.3 -43.82 97.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.105 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.8 m -59.61 -43.21 93.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.216 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -56.48 -43.12 79.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 109.918 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.98 -43.4 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -98.45 -59.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' CYS . 49.4 mttp -83.34 0.73 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.016 0.747 . . . . 1.0 113.016 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 26' ' ' CYS . 25.1 m80 55.8 16.3 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.28 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -66.74 154.31 41.06 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 21.2 mmt85 -81.27 -42.27 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.323 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -127.43 -7.47 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.727 -178.387 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.06 101.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -112.62 128.53 56.4 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.016 -0.365 . . . . 1.0 110.016 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 20.0 m -108.59 140.4 42.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 1.0 111.406 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' A' ' 48' ' ' ILE . 81.7 m-85 -130.19 162.8 28.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.302 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -92.06 130.74 37.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 54.1 p30 -103.64 -175.58 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.588 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.7 -30.3 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.522 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -79.37 8.95 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.58 17.23 8.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.309 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -96.9 151.78 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.24 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.3 mt -86.42 103.79 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.641 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -78.39 113.17 16.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 m -77.8 100.88 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.795 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.645 HD12 ' CD1' ' A' ' 38' ' ' PHE . 25.3 mt -98.16 101.33 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.594 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 76.7 m -79.33 135.79 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.523 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.754 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.8 p30 -111.99 145.13 40.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.201 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.468 ' C ' ' H ' ' A' ' 53' ' ' GLU . 15.1 m-85 -113.81 95.55 5.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.181 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 m 73.45 -26.99 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.679 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 51' ' ' TYR . 78.0 mm-40 -130.84 115.36 16.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.948 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.534 179.768 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 53.7 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.769 0.319 . . . . 1.0 110.517 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 64.8 mttp -58.22 -34.39 70.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m -55.53 -23.62 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.541 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -96.82 134.23 40.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.641 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.5 mtmm -138.84 123.38 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.92 139.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.091 0.472 . . . . 1.0 111.423 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 9.1 m-85 -115.17 87.46 2.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.345 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 78.3 mm-40 -72.65 158.94 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.463 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 72.47 5.54 5.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.852 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.897 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.2 m-85 -116.74 -17.1 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 112.987 0.736 . . . . 1.0 112.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 76.1 Cg_exo -46.77 122.43 5.99 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.27 2.647 . . . . 1.0 109.632 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 11' ' ' TYR . 11.6 t -132.51 142.76 41.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.506 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -51.47 -32.94 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' H ' HG12 ' A' ' 13' ' ' VAL . 98.3 mttt -60.67 -26.53 67.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.928 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.5 m -64.51 -25.16 67.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -44.25 -16.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 16' ' ' CYS . 11.7 mt -101.97 104.23 14.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.322 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.0 -18.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.442 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -79.19 -48.96 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.934 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -60.31 -38.17 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.407 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 92.1 m -53.3 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.756 -0.657 . . . . 1.0 111.762 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -67.95 -44.3 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.621 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.5 m-85 -62.11 -52.56 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -64.05 -43.94 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.608 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.1 m -60.9 -42.91 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.314 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 44.4 mttm -56.78 -43.77 81.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.02 0.438 . . . . 1.0 109.963 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.46 -42.97 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -98.65 -57.49 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.055 0.761 . . . . 1.0 113.055 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 26' ' ' CYS . 84.6 mttt -87.83 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' CYS . 21.8 m80 55.92 22.5 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.848 -0.341 . . . . 1.0 111.266 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -67.38 155.74 38.21 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.541 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 23.4 mmt85 -81.14 -42.17 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.72 -0.392 . . . . 1.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.605 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -130.15 -4.06 4.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.727 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 30.24 100.72 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -113.69 128.47 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.0 m -107.21 140.91 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.378 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' A' ' 48' ' ' ILE . 83.3 m-85 -127.24 160.6 30.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.32 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 16.6 m-85 -97.89 128.16 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -103.97 -174.42 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.538 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.44 -29.75 69.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -76.25 6.79 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.559 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 60.3 14.02 4.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.438 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -94.01 150.1 20.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.159 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 35.1 mt -87.04 104.08 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.71 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 94.4 mm-40 -80.6 112.94 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.582 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 94.3 m -80.25 105.77 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 38' ' ' PHE . 60.2 mt -105.45 101.9 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.585 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 65.7 m -70.63 130.49 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.532 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.815 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.3 p30 -109.64 141.49 42.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.227 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.641 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 10.9 m-85 -110.37 96.13 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.243 177.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 75.92 -69.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.72 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -67.46 135.39 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.955 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.531 179.836 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 48.7 p30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 1.0 110.533 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 60.02 41.87 16.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.539 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m -62.53 -25.44 68.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.03 134.65 34.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.192 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.8 mtmm -145.71 127.24 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -86.52 139.03 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.433 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -126.11 81.81 2.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.31 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.567 ' HG3' HE22 ' A' ' 46' ' ' GLN . 57.5 mp0 -60.87 169.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.465 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER 64.26 42.97 5.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 1.0 109.909 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.911 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 6.0 m-85 -154.52 -36.34 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 112.955 0.724 . . . . 1.0 112.955 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.911 ' CD ' ' H ' ' A' ' 11' ' ' TYR . 28.1 Cg_exo -61.33 142.13 94.92 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 123.224 2.616 . . . . 1.0 109.64 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' CYS . 23.1 t -136.3 159.81 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.527 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.496 ' N ' HG12 ' A' ' 13' ' ' VAL . 20.0 m -47.07 -28.16 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.21 -26.69 62.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.001 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.606 ' C ' ' H ' ' A' ' 18' ' ' LEU . 92.3 m -66.63 -18.54 65.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.241 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -48.95 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 109.948 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.4 mt -108.94 112.3 24.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.344 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.85 -15.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.639 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.1 m-20 -81.24 -48.08 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.982 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.66 -37.0 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.324 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 6.0 m -54.77 -59.66 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.71 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.639 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.0 p-10 -67.45 -41.43 84.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.622 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.6 m-85 -66.14 -51.66 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 1.0 110.865 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.18 -44.56 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.089 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 30' ' ' LYS . 99.1 m -59.87 -41.57 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 1.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -57.73 -42.88 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 1.0 109.927 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.44 -31.99 67.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.202 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.31 -61.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 1.0 113.112 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.9 mmtt -103.68 14.94 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 48.66 28.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.29 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.95 154.89 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 58.9 mmt-85 -76.9 -48.19 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.79 -0.364 . . . . 1.0 111.344 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.2 m -128.63 -3.52 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.779 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.672 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 27.31 104.36 0.0 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 52.0 mp0 -113.57 130.58 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.4 m -106.1 133.78 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.445 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.1 m-85 -125.68 161.84 26.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.319 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.455 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 10.7 m-85 -97.0 127.87 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.09 -177.1 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.555 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.49 -29.59 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.501 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -71.39 3.81 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 62.99 18.15 10.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.363 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.455 ' OD1' ' C ' ' A' ' 44' ' ' ASN . 0.4 OUTLIER -107.68 154.16 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.215 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 8.4 mt -86.44 120.31 27.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.667 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.567 HE22 ' HG3' ' A' ' 9' ' ' GLU . 7.9 mm100 -100.84 126.58 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.609 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.492 ' H ' ' HG3' ' A' ' 12' ' ' PRO . 61.4 m -86.34 111.15 20.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.716 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.4 mt -105.34 101.42 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.616 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -76.95 132.03 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.485 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.75 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.1 p30 -114.63 145.15 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.205 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.7 m-85 -111.39 96.56 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.279 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.504 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 m 78.77 -70.56 0.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.782 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -73.46 126.1 29.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 1.0 110.967 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.507 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 37.9 p30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.759 0.314 . . . . 1.0 110.581 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 5' ' ' LYS . 68.9 mttm -57.63 -32.26 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.541 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -47.32 -17.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 3' ' ' LYS . 64.6 mmtt -98.78 129.05 45.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.175 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -139.82 116.63 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 t -84.11 130.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.417 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.22 84.33 2.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.315 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.552 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 42.4 mp0 -69.03 167.85 15.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.407 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 66.19 -2.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.877 179.526 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.784 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 8.6 m-85 -108.2 -19.65 0.15 Allowed Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.969 0.729 . . . . 1.0 112.969 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.3 Cg_endo -78.8 140.62 16.48 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 123.222 2.615 . . . . 1.0 109.668 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.559 HG12 ' N ' ' A' ' 14' ' ' SER . 40.5 t -135.75 162.23 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.503 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' HG12 ' A' ' 13' ' ' VAL . 33.7 m -46.9 -27.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.175 -0.676 . . . . 1.0 109.175 178.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -72.11 -27.09 62.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.97 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.613 ' C ' ' H ' ' A' ' 18' ' ' LEU . 90.4 m -66.21 -19.53 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.234 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -47.8 -8.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.852 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.1 mt -106.66 108.16 19.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.08 -12.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.45 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.649 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -82.73 -47.85 11.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.901 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.03 -36.76 84.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.324 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 3.9 m -57.11 -59.29 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.812 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.649 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.2 p-10 -66.81 -42.0 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.615 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -66.07 -52.49 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.773 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.109 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 70.8 m -62.81 -42.37 99.69 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -56.2 -42.99 78.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 1.0 109.998 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.44 -34.17 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.164 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -98.76 -62.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.058 0.762 . . . . 1.0 113.058 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' CYS . 58.1 mmtt -96.5 6.14 49.35 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.989 0.737 . . . . 1.0 112.989 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' CYS . 73.0 m-70 53.55 30.45 10.74 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.839 -0.344 . . . . 1.0 111.19 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 149.51 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 52' ' ' CYS . 78.0 mtt180 -76.34 -42.63 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.716 -0.394 . . . . 1.0 111.405 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.2 t -125.29 -6.82 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.715 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 19.35 104.04 0.0 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -123.58 140.08 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.12 132.09 54.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' A' ' 48' ' ' ILE . 56.1 m-85 -123.8 163.91 20.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.501 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 13.7 m-85 -92.64 122.5 35.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.444 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.71 -174.59 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 45.5 mp0 -64.74 -28.69 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.491 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -70.33 1.68 4.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 62.46 16.06 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.318 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.29 155.48 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.189 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 11.1 mt -79.33 124.7 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.728 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.401 ' NE2' ' HG3' ' A' ' 9' ' ' GLU . 7.3 mm100 -107.63 125.8 51.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.638 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.1 m -82.77 106.48 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.799 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' PHE . 17.5 mt -100.28 101.6 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.75 131.07 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.529 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.863 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 4.0 p30 -111.63 139.15 47.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.47 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 56.5 m-85 -113.69 96.43 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.208 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 33' ' ' ARG . 3.3 m 76.5 -37.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.746 176.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -114.06 121.86 45.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 1.0 110.97 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.0 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.519 179.8 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.819 0.342 . . . . 1.0 110.603 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -84.85 148.85 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.524 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m -55.66 -25.29 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.588 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -92.6 131.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.181 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.638 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.3 mtmm -139.74 132.12 28.44 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 t -81.74 135.09 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.507 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -125.24 79.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.295 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 54.8 mp0 -60.8 172.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.335 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.96 -3.76 2.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.892 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.803 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.4 m-85 -124.24 9.3 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 113.034 0.753 . . . . 1.0 113.034 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.803 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 90.3 Cg_endo -82.39 119.16 3.01 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 123.157 2.571 . . . . 1.0 109.681 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -135.89 152.62 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.544 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -50.86 -32.52 20.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -60.35 -27.68 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.972 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 18' ' ' LEU . 61.1 m -64.86 -24.76 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.125 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -44.01 -16.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.975 0.417 . . . . 1.0 109.905 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.2 mt -103.77 104.94 15.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.3 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.06 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.46 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.67 -46.76 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 109.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -61.84 -40.55 95.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.309 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.666 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 33.4 m -52.09 -60.22 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.803 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.9 p-10 -67.83 -43.48 79.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.674 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -63.98 -51.91 62.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 1.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.29 -47.39 79.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 87.8 m -59.2 -44.12 92.23 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.337 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.7 mtpm? -53.61 -43.44 68.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 1.0 109.967 178.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.34 -34.76 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.256 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -96.7 -62.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.175 0.805 . . . . 1.0 113.175 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.614 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 65.4 mmtt -98.74 3.48 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.961 0.726 . . . . 1.0 112.961 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 58.42 29.32 18.08 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.832 -0.347 . . . . 1.0 111.235 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 153.58 41.3 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 60.8 mmt-85 -80.55 -45.64 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.289 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -129.31 -4.85 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.784 -177.806 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 38.39 104.46 0.01 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.24 122.07 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.666 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 34.9 m -107.28 138.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 48' ' ' ILE . 73.1 m-85 -130.31 163.98 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.301 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -91.38 133.72 35.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 53.1 p30 -104.71 -177.68 3.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.55 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.93 -30.37 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -80.46 11.47 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 61.3 13.24 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.305 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.6 t30 -92.93 146.82 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.25 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 27.0 mt -84.07 105.67 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -80.34 120.43 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.6 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -81.02 105.94 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 38' ' ' PHE . 19.1 mt -105.4 103.0 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.618 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.43 124.91 25.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.498 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.714 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.3 p30 -103.44 146.42 28.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.194 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.638 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.0 m-85 -110.88 96.44 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.195 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.14 -63.63 0.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.733 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -79.56 122.63 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 1.0 110.941 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 54' ' ' TYR . 26.8 p90 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.557 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.93 -39.67 82.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.622 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.65 -27.64 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.598 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' HZ3' ' HA ' ' A' ' 54' ' ' TYR . 67.2 mmtt -89.96 130.85 36.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.162 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -141.19 130.47 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.45 138.42 20.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 1.0 111.407 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -120.44 89.89 3.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.281 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 58.4 mp0 -67.04 171.76 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.425 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.14 -3.03 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.919 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.786 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.8 m-85 -111.21 -19.73 0.12 Allowed Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 113.021 0.749 . . . . 1.0 113.021 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 81.4 Cg_exo -45.02 113.38 0.48 Allowed 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 123.229 2.619 . . . . 1.0 109.663 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 15' ' ' LYS . 8.6 p -137.41 146.21 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.53 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -51.18 -36.66 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.752 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.0 mmtm -57.57 -26.43 61.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.936 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -72.74 -18.6 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.214 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' N ' HD13 ' A' ' 45' ' ' LEU . 11.5 pt20 -45.55 -14.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.889 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.0 mt -104.28 107.39 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.274 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.44 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.464 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -80.75 -44.37 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -64.63 -40.33 95.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.308 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 17.1 m -52.37 -59.06 4.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.719 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.8 p-10 -67.22 -45.17 77.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.607 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -59.92 -53.23 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 1.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -64.31 -43.97 93.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.057 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' LYS . 89.1 m -65.71 -43.98 87.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.801 0.334 . . . . 1.0 110.287 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 14.0 mtpp -49.1 -50.96 34.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.075 0.464 . . . . 1.0 109.93 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.19 -32.57 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.206 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -96.95 -63.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.5 mmtt -100.6 1.11 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.948 0.721 . . . . 1.0 112.948 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.4 m80 59.82 67.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.222 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . -104.79 143.69 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 25.7 mmt180 -78.49 -42.87 28.44 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.314 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.8 m -129.55 -7.52 4.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.696 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.703 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 42.15 115.67 0.0 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 30.6 mp0 -125.79 120.36 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 22.7 m -111.31 126.42 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.345 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 48' ' ' ILE . 53.2 m-85 -119.62 167.4 12.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.338 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CE2' HD21 ' A' ' 45' ' ' LEU . 24.5 m-85 -101.52 123.25 45.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.437 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 55.4 p30 -95.46 -164.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.539 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -69.68 -28.9 66.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.71 2.3 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.711 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.33 18.63 9.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.332 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.433 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -100.57 156.67 17.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.269 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 39' ' ' TYR . 28.9 mt -83.13 105.06 13.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.698 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -80.42 109.83 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.559 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.8 m -74.06 102.75 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.763 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 38' ' ' PHE . 15.7 mt -103.31 100.98 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.619 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.9 m -78.94 126.49 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.746 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.2 p30 -106.53 145.72 31.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.167 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.486 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.1 m-85 -110.91 95.85 5.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.248 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.609 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 78.02 -65.64 0.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.706 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -77.49 114.64 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 1.0 111.024 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.546 ' HA ' ' HZ3' ' A' ' 5' ' ' LYS . 43.9 p90 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.509 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.749 0.309 . . . . 1.0 110.596 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -61.73 -31.74 71.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.37 -15.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.512 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -98.27 136.54 38.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.196 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.2 mtmm -146.97 123.06 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.81 136.03 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.499 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -110.58 79.26 1.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.326 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 74.7 mm-40 -63.03 156.24 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.396 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.568 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.37 48.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.88 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 10' ' ' ASN . 6.2 m-85 -155.14 -57.4 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.1 Cg_endo -39.5 136.24 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 123.246 2.631 . . . . 1.0 109.706 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.606 HG22 ' N ' ' A' ' 14' ' ' SER . 4.6 p -138.29 163.26 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.533 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.606 ' N ' HG22 ' A' ' 13' ' ' VAL . 22.4 m -45.24 -32.53 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.572 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.2 mmtm -69.77 -27.04 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 1.0 109.944 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.588 ' N ' ' O ' ' A' ' 13' ' ' VAL . 94.5 m -67.27 -19.76 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.19 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.1 pt20 -47.98 -9.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.829 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' A' ' 16' ' ' CYS . 80.5 mt -106.53 109.28 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.225 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.9 -12.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.432 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -83.67 -49.7 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.07 -36.84 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.365 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 99.1 m -58.85 -59.82 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.778 -178.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -65.12 -42.43 93.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.658 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.61 -54.16 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 1.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -62.15 -40.17 95.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.059 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 30' ' ' LYS . 73.0 m -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.33 . . . . 1.0 110.349 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -57.92 -45.1 87.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.014 0.435 . . . . 1.0 109.926 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.46 -40.84 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.139 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.68 -60.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' CYS . 81.1 mttt -84.48 4.91 29.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -177.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' CYS . 72.6 m-70 53.35 16.53 0.88 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.266 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -69.06 152.06 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 20.3 mmm180 -79.12 -42.84 25.34 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.409 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.603 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.7 t -127.17 -7.99 5.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.673 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.603 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.51 100.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -113.91 131.09 56.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.997 -0.372 . . . . 1.0 109.997 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 59.3 m -110.33 137.04 48.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.36 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CD1' HD12 ' A' ' 48' ' ' ILE . 58.0 m-85 -129.64 165.07 22.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.243 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.475 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 m-85 -93.75 130.85 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.345 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.9 p-10 -101.53 -174.71 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.565 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 47.8 mp0 -66.98 -30.18 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.69 5.16 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 62.7 17.72 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.316 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.515 ' C ' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -108.21 153.07 23.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.252 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.623 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 10.1 mt -81.41 120.59 25.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.692 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' HD21 ' A' ' 44' ' ' ASN . 82.4 mm-40 -99.06 119.87 38.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.645 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 88.5 m -82.56 104.26 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.796 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 38' ' ' PHE . 31.2 mt -99.37 100.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 95.0 m -77.56 135.35 38.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.544 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.802 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.1 p30 -111.91 143.23 43.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.4 m-85 -113.7 96.7 5.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.225 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 75.07 -35.72 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.697 176.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 51' ' ' TYR . 77.7 mm-40 -115.12 115.92 27.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 1.0 111.005 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.563 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.848 0.356 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -82.18 138.42 34.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 3.5 m -140.43 -13.33 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.477 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -102.63 140.54 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.202 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -141.33 115.26 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.79 131.22 35.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.478 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.624 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.4 m-85 -112.72 85.11 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.315 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.584 ' CD ' HE22 ' A' ' 46' ' ' GLN . 77.6 mm-40 -70.17 161.51 30.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.429 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.555 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 73.12 -0.13 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.914 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.3 m-85 -110.27 -18.21 0.13 Allowed Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 112.957 0.725 . . . . 1.0 112.957 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -47.18 124.92 9.67 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 123.277 2.651 . . . . 1.0 109.687 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 11' ' ' TYR . 5.5 t -132.71 139.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.551 -0.46 . . . . 1.0 111.501 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -51.53 -29.32 16.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' H ' HG12 ' A' ' 13' ' ' VAL . 62.8 mttp -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.013 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' A' ' 18' ' ' LEU . 85.0 m -65.7 -22.6 66.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.228 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -43.68 -16.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.893 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.6 mt -100.35 105.67 17.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.289 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.32 -18.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.448 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.644 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -78.99 -49.14 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.946 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -60.29 -39.31 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.391 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 90.1 m -52.23 -60.77 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.767 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.644 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.3 p-10 -68.08 -43.84 77.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.644 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -62.77 -54.2 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -62.7 -43.86 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.022 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.2 m -60.36 -44.38 95.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.747 0.308 . . . . 1.0 110.278 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -55.59 -44.56 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.024 0.44 . . . . 1.0 109.923 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.97 -44.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -98.15 -57.86 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.0 mttp -84.63 -1.47 56.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.915 0.709 . . . . 1.0 112.915 -176.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' CYS . 60.8 m-70 57.5 17.18 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.223 178.426 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -68.84 154.0 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 64.3 mtt-85 -77.23 -46.58 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.384 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.7 m -128.99 -2.42 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.802 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 36.49 104.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 49.5 mp0 -109.17 123.42 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.671 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 8.0 m -106.78 128.67 54.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.375 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CD1' HD12 ' A' ' 48' ' ' ILE . 73.9 m-85 -119.54 161.23 20.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.28 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 45' ' ' LEU . 25.6 m-85 -96.86 127.96 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.413 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 48.5 p-10 -102.84 -169.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -68.8 -31.03 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.431 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -73.97 4.04 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.43 18.71 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.354 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -100.63 155.68 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.222 179.65 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.437 HD21 ' CE2' ' A' ' 39' ' ' TYR . 36.7 mt -86.27 104.31 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.584 HE22 ' CD ' ' A' ' 9' ' ' GLU . 14.3 mm100 -80.0 111.94 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.3 m -81.79 106.94 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 38' ' ' PHE . 56.0 mt -105.36 102.8 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.622 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.624 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 m -66.59 125.93 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.535 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.859 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.0 p30 -108.54 139.21 43.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.471 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 15.2 m-85 -111.45 95.45 5.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.179 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.486 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 3.3 m 76.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.65 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.7 mp0 -71.88 124.54 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 1.0 111.011 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.499 179.786 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 52.5 p30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.76 0.314 . . . . 1.0 110.556 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 mttt 56.33 45.55 22.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.548 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m -58.42 -30.28 66.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.566 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -90.85 127.71 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.221 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -134.77 136.83 42.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.3 t -79.58 133.64 29.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.45 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.403 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 10.0 m-85 -123.7 79.03 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.283 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 45.7 mp0 -66.15 179.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.16 10.33 3.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.95 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.947 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -147.56 31.94 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.947 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 5.2 Cg_exo -84.08 117.34 2.21 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.267 2.645 . . . . 1.0 109.665 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 15' ' ' LYS . 6.5 t -134.59 140.82 44.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.508 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.2 m -51.79 -33.4 35.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.18 -0.674 . . . . 1.0 109.18 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' H ' HG12 ' A' ' 13' ' ' VAL . 68.6 mttm -58.42 -27.43 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.97 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.1 m -65.03 -24.91 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -43.1 -17.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.85 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' CYS . 85.2 mt -98.72 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.284 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.95 -16.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.417 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -79.92 -47.46 15.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.47 -39.21 92.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.352 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.545 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 95.0 m -52.93 -59.44 4.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.701 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.8 p-10 -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.541 -177.276 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.7 m-85 -64.85 -51.05 64.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.814 0.34 . . . . 1.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -64.21 -47.26 80.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.7 m -56.79 -45.38 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.317 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -55.25 -41.74 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.024 0.44 . . . . 1.0 109.948 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.1 mt -71.42 -36.31 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.212 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.39 -62.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.625 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 41.2 mmtm -95.56 2.74 54.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.033 0.753 . . . . 1.0 113.033 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 57.24 25.05 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.799 -0.36 . . . . 1.0 111.199 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.09 153.47 37.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mmt-85 -75.28 -43.29 52.03 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.718 -0.393 . . . . 1.0 111.388 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.646 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -131.32 -1.85 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.743 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.646 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.23 103.59 0.01 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 79.1 mm-40 -116.87 131.18 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.042 -0.355 . . . . 1.0 110.042 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.9 m -106.8 142.46 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.003 0.43 . . . . 1.0 111.383 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 48' ' ' ILE . 86.0 m-85 -130.05 162.42 28.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.315 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CE2' HD21 ' A' ' 45' ' ' LEU . 57.9 m-85 -94.38 125.44 39.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.378 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 41.6 p-10 -99.65 -169.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.659 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 7.1 pm0 -71.04 -29.35 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.481 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' ' HZ2' ' A' ' 42' ' ' LYS . 9.1 mtmp? -75.32 4.38 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 61.75 18.87 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.299 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.44 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -103.17 155.85 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.233 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 39' ' ' TYR . 39.0 mt -86.31 106.18 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.674 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.411 HE22 ' HG3' ' A' ' 9' ' ' GLU . 10.8 mm100 -83.39 119.33 24.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.608 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 32.9 m -78.42 104.56 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.756 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.629 HD12 ' CD1' ' A' ' 38' ' ' PHE . 16.2 mt -105.01 106.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.6 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 61.1 m -73.43 125.11 27.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.539 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.4 p30 -103.58 146.84 27.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.2 m-85 -109.78 97.2 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.244 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.477 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.55 -63.11 0.39 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.712 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -87.09 114.88 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 1.0 110.953 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.7 p90 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.489 179.722 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.808 0.337 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.92 -35.17 72.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 m -130.07 -14.36 3.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.625 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -92.42 136.78 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.181 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -140.93 127.52 20.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -84.1 132.41 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.431 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.75 89.27 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.323 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.752 ' CD ' HE22 ' A' ' 46' ' ' GLN . 70.5 mm-40 -68.88 173.8 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.438 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 71.84 -1.75 2.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.835 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.919 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m-85 -113.78 -14.97 0.11 Allowed Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 112.942 0.719 . . . . 1.0 112.942 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.805 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.9 Cg_exo -48.41 118.87 3.58 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 123.266 2.644 . . . . 1.0 109.712 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 11' ' ' TYR . 13.9 t -132.62 141.39 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.52 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 m -49.81 -32.52 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' H ' HG12 ' A' ' 13' ' ' VAL . 62.7 mttp -62.74 -27.98 69.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.609 -0.723 . . . . 1.0 109.986 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 18' ' ' LEU . 70.9 m -63.85 -18.46 64.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.178 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' N ' HD13 ' A' ' 45' ' ' LEU . 13.2 pt20 -43.38 -16.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 1.0 109.874 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -103.3 104.2 14.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.215 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.97 -15.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.521 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.576 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -81.65 -42.36 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.022 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' LEU . 70.4 mm-40 -64.39 -41.21 96.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.375 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.627 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 5.7 m -54.94 -59.7 4.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.733 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.576 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.7 p-10 -63.95 -42.83 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.619 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -65.53 -48.0 73.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 1.0 110.88 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.4 -43.9 96.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.122 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.9 m -57.44 -45.3 84.85 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.303 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -54.8 -42.61 72.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.888 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -39.15 72.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.192 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -96.97 -61.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 62.1 mmtt -92.32 4.11 54.02 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -176.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' CYS . 61.8 m-70 57.94 17.46 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.288 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 173.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.854 -0.425 . . . . 1.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 76.6 mtt85 -100.28 -68.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.344 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' ' O ' ' A' ' 35' ' ' GLY . 6.9 t -130.31 31.73 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.773 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -40.16 170.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 51.8 mp0 -146.09 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.627 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 1.9 m -110.31 135.62 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.347 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.631 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.0 m-85 -123.22 163.63 20.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CE2' HD21 ' A' ' 45' ' ' LEU . 78.4 m-85 -96.58 130.91 43.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.442 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 43.3 p-10 -104.9 -163.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.637 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 2.2 pm0 -74.18 -33.17 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.501 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -73.88 5.97 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 60.56 18.44 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.335 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.437 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -98.67 155.29 17.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.289 179.592 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 17' ' ' GLN . 20.4 mt -86.18 102.73 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.684 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.752 HE22 ' CD ' ' A' ' 9' ' ' GLU . 8.1 mm100 -79.26 115.44 18.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.609 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 m -81.58 111.76 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.8 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.631 HD12 ' CD1' ' A' ' 38' ' ' PHE . 33.8 mt -106.17 102.79 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.579 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.7 m -73.54 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.551 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.735 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.4 p30 -106.74 146.55 30.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.239 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.481 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.9 m-85 -111.49 98.42 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.201 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.37 -59.64 0.46 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.741 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -99.8 123.84 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 1.0 110.935 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.471 179.737 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.805 0.336 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -58.27 -33.18 69.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.63 -32.87 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -90.67 131.29 36.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.181 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -140.28 130.7 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.48 131.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.439 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -114.87 78.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.33 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 77.6 mm-40 -62.76 172.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.481 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.552 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.83 10.37 3.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.905 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.968 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 57.8 m-85 -142.87 29.02 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.966 0.728 . . . . 1.0 112.966 179.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.968 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.3 Cg_endo -86.67 117.33 1.43 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 123.323 2.682 . . . . 1.0 109.635 176.515 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG12 ' H ' ' A' ' 15' ' ' LYS . 7.7 t -135.52 145.31 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.415 . . . . 1.0 111.497 -177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -52.03 -34.13 41.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' H ' HG12 ' A' ' 13' ' ' VAL . 98.8 mttt -58.29 -27.43 64.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.981 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' LEU . 33.8 m -63.62 -26.75 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.22 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -43.61 -16.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.959 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.9 mt -99.74 102.09 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.09 -15.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.671 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -81.63 -46.52 14.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -62.46 -39.18 92.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.344 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.619 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 77.8 m -55.65 -58.66 6.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.717 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.671 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.07 -42.54 84.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.588 -177.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.1 m-85 -66.01 -52.36 50.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 1.0 110.844 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -62.59 -45.1 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.037 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.2 m -57.97 -44.28 86.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.333 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -55.69 -42.15 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 1.0 109.906 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.28 -37.61 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.205 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -98.02 -61.93 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -177.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.611 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 36.7 mmtm -93.59 4.11 54.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' CYS . 29.8 m80 55.93 21.01 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.279 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -64.26 150.67 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HE ' ' N ' ' A' ' 52' ' ' CYS . 57.4 mtt-85 -72.7 -46.36 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.729 -0.388 . . . . 1.0 111.447 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.694 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.3 t -129.61 -1.52 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.754 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.694 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 28.76 105.99 0.0 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 22.5 mp0 -116.74 132.91 56.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.004 -0.369 . . . . 1.0 110.004 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.619 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.6 m -107.06 140.65 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.428 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 48' ' ' ILE . 89.5 m-85 -126.73 161.27 28.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.293 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.492 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.7 m-85 -96.58 123.72 40.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.94 -176.51 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.525 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -63.65 -29.26 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -76.86 5.3 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.572 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 61.51 18.39 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.317 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.56 151.81 20.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.247 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 24.0 mt -89.14 105.09 17.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 1.0 110.718 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 9' ' ' GLU . 63.9 mm-40 -87.31 125.78 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.602 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.8 m -83.3 108.21 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.706 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 38' ' ' PHE . 20.0 mt -105.36 104.48 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.571 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.3 m -77.15 132.71 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.551 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.755 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.5 p30 -108.87 146.0 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.63 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 12.6 m-85 -113.49 98.77 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.243 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.69 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 3.7 m 79.65 -71.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.718 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -78.85 130.88 36.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 1.0 110.999 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.538 179.65 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.1 p30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.78 0.324 . . . . 1.0 110.557 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.82 -35.18 70.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.6 -22.83 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -87.88 136.36 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.217 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HZ2' ' HB3' ' A' ' 6' ' ' LYS . 15.2 mtpp -142.22 123.86 15.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.35 138.92 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.458 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -118.4 90.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.358 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -70.99 165.35 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 70.26 -0.0 3.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.114 -0.494 . . . . 1.0 109.939 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m-85 -111.78 -17.08 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 113.002 0.741 . . . . 1.0 113.002 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 77.3 Cg_exo -47.1 125.39 10.14 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.274 2.649 . . . . 1.0 109.645 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.1 t -132.73 143.12 40.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.651 -0.42 . . . . 1.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -51.02 -29.61 12.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.543 ' H ' HG12 ' A' ' 13' ' ' VAL . 92.3 mttt -66.95 -26.14 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.0 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' LEU . 82.2 m -59.61 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -45.57 -15.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 1.0 109.908 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.5 mt -104.55 101.72 11.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.293 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.72 -14.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.42 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.705 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 89.1 m-20 -84.42 -45.7 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.916 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -62.49 -40.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.326 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.585 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -58.6 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.79 -178.019 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.705 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.3 p-10 -63.67 -43.12 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.653 -177.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.99 -53.46 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 1.0 110.888 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -61.91 -43.99 97.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 68.6 m -58.34 -45.87 87.31 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.291 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 36.3 mttp -52.79 -42.05 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 1.0 109.935 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -71.08 -44.12 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.35 -60.08 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.087 0.773 . . . . 1.0 113.087 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 26' ' ' CYS . 47.0 mttp -84.76 -1.86 56.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -176.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' CYS . 28.1 m80 57.29 20.58 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.86 -0.336 . . . . 1.0 111.219 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -67.26 151.65 47.12 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 31.4 mmt180 -81.87 -37.59 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.789 -0.364 . . . . 1.0 111.333 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.622 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -131.38 -7.09 3.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.742 -178.605 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.7 103.01 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 34.9 mp0 -106.52 136.56 46.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -112.29 136.23 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.385 -179.445 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.694 ' CD1' HD12 ' A' ' 48' ' ' ILE . 90.9 m-85 -132.34 161.56 33.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.315 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.83 134.02 37.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.433 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -105.64 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.636 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 46.8 mp0 -66.39 -30.23 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.625 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -80.06 11.03 3.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.659 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 61.06 14.08 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.301 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -93.65 151.71 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.206 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.1 mt -87.08 104.57 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.728 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -78.58 113.29 16.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.588 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.99 102.0 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.694 HD12 ' CD1' ' A' ' 38' ' ' PHE . 32.2 mt -98.73 101.26 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.573 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.472 ' HG ' ' HD3' ' A' ' 30' ' ' LYS . 81.8 m -78.75 134.25 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.519 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.756 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.8 p30 -106.44 147.11 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.9 m-85 -112.1 99.23 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.257 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.511 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 m 79.02 -56.75 0.44 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.694 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -106.4 127.03 52.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 1.0 110.945 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.6 p90 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.483 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.782 0.325 . . . . 1.0 110.578 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -75.38 140.15 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.486 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.1 m 67.78 14.04 9.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.584 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -131.97 141.28 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.226 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -152.09 124.0 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.39 140.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.45 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 18.6 m-85 -118.34 90.46 3.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 56.2 mp0 -71.61 163.04 28.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.439 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.31 2.88 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 1.0 109.933 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.894 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.4 m-85 -114.2 -19.75 0.11 Allowed Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 113.044 0.757 . . . . 1.0 113.044 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -46.36 115.91 1.34 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 123.276 2.65 . . . . 1.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 11' ' ' TYR . 85.3 t -133.6 145.04 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.545 -0.462 . . . . 1.0 111.452 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.9 t -49.8 -39.9 39.86 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.726 ' H ' HG12 ' A' ' 13' ' ' VAL . 25.2 pttt -54.99 -26.67 38.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.041 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.1 m -65.4 -25.21 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.241 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -43.94 -16.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.892 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.7 mt -100.39 104.53 15.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.301 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.14 -18.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.404 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.647 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -78.01 -50.15 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.928 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -59.94 -38.47 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.264 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.646 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 84.3 m -51.67 -61.62 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.755 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.647 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.5 p-10 -68.38 -43.94 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.608 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.6 m-85 -62.27 -54.24 43.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 1.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -62.7 -44.41 96.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.112 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.592 ' O ' ' N ' ' A' ' 30' ' ' LYS . 64.9 m -58.68 -43.38 89.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.294 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 41.0 mttm -56.27 -42.9 78.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 1.0 109.9 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.85 -43.75 71.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.189 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -98.4 -57.92 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.141 0.793 . . . . 1.0 113.141 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.4 mttp -86.07 -3.63 58.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.018 0.747 . . . . 1.0 113.018 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.1 m-70 58.07 19.43 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.19 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.437 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -65.37 156.1 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.52 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 85.9 mtt-85 -83.67 -40.99 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.726 -0.389 . . . . 1.0 111.293 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.612 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -129.9 -4.26 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.771 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.612 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.87 102.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 78.3 mm-40 -111.49 124.34 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.6 m -107.0 138.83 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.335 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 48' ' ' ILE . 78.1 m-85 -129.47 163.88 24.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.271 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -94.37 132.34 39.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -103.87 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.67 -30.37 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.72 9.68 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.57 16.97 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.305 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -95.19 150.51 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.243 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.92 104.02 15.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.696 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -78.89 112.93 16.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.636 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 m -78.6 103.82 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.761 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 38' ' ' PHE . 32.7 mt -104.65 101.87 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.588 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 64.6 m -70.18 127.84 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.52 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.748 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.2 p30 -111.92 144.94 40.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.109 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 16.6 m-85 -112.38 94.55 4.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.205 177.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 2.9 m 72.02 -69.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.71 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.21 114.51 13.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.918 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.555 179.487 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 51.1 p30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.838 0.352 . . . . 1.0 110.544 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -84.78 147.44 26.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 m -55.76 -23.63 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.584 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -93.26 134.15 35.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -143.31 134.87 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.15 139.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.454 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -119.22 87.56 2.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.314 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 57.1 mp0 -66.95 165.04 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.425 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.545 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.12 0.92 3.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.871 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.788 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 28.6 m-85 -115.88 -19.99 0.1 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.788 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.6 Cg_exo -46.8 116.28 1.59 Allowed 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 123.248 2.632 . . . . 1.0 109.643 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 11' ' ' TYR . 4.7 m -138.05 149.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.627 -0.429 . . . . 1.0 111.527 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 25.5 t -54.64 -25.2 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.59 -29.93 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.058 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' LEU . 56.2 m -68.6 -20.76 64.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.8 pt20 -44.79 -15.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 1.0 109.927 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -104.19 105.18 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.324 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.58 -16.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.474 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.651 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.4 m-20 -81.06 -47.14 13.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.973 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -61.17 -39.01 88.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.328 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.72 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 68.1 m -54.52 -59.99 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.73 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.651 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.19 -42.74 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.63 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -65.0 -53.65 42.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 1.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.36 -44.76 95.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.076 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.3 m -58.72 -44.2 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 1.0 110.348 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.3 mtpm? -55.31 -42.9 74.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.984 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.91 -43.64 67.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.138 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -97.96 -59.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.2 mttp -84.85 -0.89 55.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . 63.2 m-70 57.17 17.46 3.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.768 -0.373 . . . . 1.0 111.27 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -66.48 152.41 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 12.0 mmm180 -79.09 -40.74 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.778 -0.369 . . . . 1.0 111.344 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.636 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -128.72 -7.11 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.734 -178.174 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.02 102.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -115.35 133.46 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.06 -0.348 . . . . 1.0 110.06 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.72 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 23.2 m -110.5 141.76 43.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 1.0 111.361 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' HD12 ' A' ' 48' ' ' ILE . 79.7 m-85 -131.29 165.24 23.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.318 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 28.7 m-85 -97.84 130.55 44.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.383 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 52.5 p-10 -107.17 -169.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.508 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -68.63 -30.31 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.493 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -74.6 6.3 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.608 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 58.9 15.2 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.322 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' OD1' ' OD2' ' A' ' 40' ' ' ASP . 0.7 OUTLIER -99.82 155.66 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.197 179.452 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -85.45 104.44 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.701 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 18.4 mm100 -79.64 116.37 19.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.624 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.8 m -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.782 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.59 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.0 mt -102.91 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.634 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.56 ' HG ' ' HD3' ' A' ' 30' ' ' LYS . 78.7 m -77.72 132.31 38.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.564 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.723 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.9 p30 -106.1 146.41 30.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.191 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.484 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.1 m-85 -111.99 97.43 6.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 77.83 -65.12 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.717 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -84.12 133.39 34.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.0 111.005 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.5 p90 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.487 179.765 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.734 0.302 . . . . 1.0 110.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' H ' ' CD ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -82.77 119.37 24.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.516 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 m -67.62 -30.73 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.551 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.47 130.03 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.174 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -138.19 128.52 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.36 136.21 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.469 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 9' ' ' GLU . 13.8 m-85 -135.05 79.31 1.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.338 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 40.9 mp0 -60.45 -141.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.432 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 47.5 m-20 42.97 16.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.958 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.9 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 32.0 m-85 -153.37 32.94 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 112.99 0.737 . . . . 1.0 112.99 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.9 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.2 Cg_endo -90.06 115.17 0.56 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.303 2.669 . . . . 1.0 109.689 176.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 15' ' ' LYS . 5.8 t -137.7 146.32 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.515 -177.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.4 p -54.14 -30.62 49.73 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' H ' HG12 ' A' ' 13' ' ' VAL . 64.6 mttm -63.89 -29.33 70.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.0 m -65.08 -19.85 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -42.62 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.869 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 71.7 mt -96.51 103.87 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.376 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.2 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.501 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.573 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.53 -45.26 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 63.3 mm-40 -62.2 -40.46 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.34 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.59 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 4.0 m -53.55 -60.51 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.734 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.573 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.4 p-10 -65.42 -43.99 88.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.42 -0.355 . . . . 1.0 111.583 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.16 -48.14 79.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 1.0 110.838 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.81 -43.69 97.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.054 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.603 ' O ' ' N ' ' A' ' 30' ' ' LYS . 94.1 m -57.65 -45.75 85.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.817 0.341 . . . . 1.0 110.365 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -54.85 -44.64 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.046 0.451 . . . . 1.0 109.996 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.14 -39.14 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.08 -59.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.132 0.79 . . . . 1.0 113.132 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' A' ' 26' ' ' CYS . 65.8 mmtt -93.8 3.33 55.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.002 0.742 . . . . 1.0 113.002 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' CYS . 26.7 m80 57.94 19.47 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.265 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.45 176.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.884 -0.413 . . . . 1.0 109.884 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 80.4 mtt-85 -99.1 -69.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.779 -0.368 . . . . 1.0 111.375 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.576 ' O ' ' O ' ' A' ' 35' ' ' GLY . 58.8 m -131.51 31.6 4.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.741 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -39.36 168.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 51.0 mp0 -145.64 161.09 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 5.7 m -106.38 135.62 47.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.408 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.667 ' CD1' HD12 ' A' ' 48' ' ' ILE . 91.5 m-85 -122.13 161.89 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.236 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 45' ' ' LEU . 89.0 m-85 -93.78 126.64 39.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.458 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -94.83 -168.56 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.524 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -67.83 -34.63 77.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.05 9.6 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 61.85 18.58 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.04 149.21 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.288 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 39' ' ' TYR . 30.5 mt -83.53 102.56 12.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.77 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -86.11 122.04 29.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.611 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 57.6 m -83.64 114.58 21.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.751 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.667 HD12 ' CD1' ' A' ' 38' ' ' PHE . 33.2 mt -109.55 109.55 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.3 m -73.67 124.96 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.755 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.0 p30 -104.8 146.51 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.181 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 m-85 -110.34 97.92 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.203 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.42 -70.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.702 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -67.44 133.33 49.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 1.0 110.961 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.5 p90 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.49 179.73 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.493 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.3 m . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.817 0.341 . . . . 1.0 110.578 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.09 141.44 48.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -143.11 113.97 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.537 -0.542 . . . . 1.0 109.537 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.426 ' CG1' ' OE2' ' A' ' 9' ' ' GLU . 15.6 t -82.38 129.33 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.458 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.412 ' CE2' ' SG ' ' A' ' 49' ' ' CYS . 59.3 m-85 -115.06 77.8 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.282 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 53.6 mp0 -63.61 -9.88 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 m-20 -91.27 17.92 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.825 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -152.58 41.21 0.19 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 112.962 0.727 . . . . 1.0 112.962 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.825 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.1 Cg_endo -89.09 116.99 0.79 Allowed 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.246 2.631 . . . . 1.0 109.652 176.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -134.61 140.97 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.508 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -53.58 -32.26 50.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.462 ' H ' HG12 ' A' ' 13' ' ' VAL . 89.8 mttt -58.98 -26.73 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.019 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.3 m -65.66 -24.74 67.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.201 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -42.26 -18.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.885 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 84.8 mt -97.52 105.14 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.287 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.8 -18.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.646 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -78.59 -48.42 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.984 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -60.85 -39.39 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.373 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.697 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 92.4 m -51.92 -60.52 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.734 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.646 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.4 p-10 -68.59 -42.69 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.632 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -64.2 -52.92 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 1.0 110.788 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -63.22 -46.22 88.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.066 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 75.1 m -57.82 -45.33 86.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.324 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -55.22 -41.84 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.074 0.464 . . . . 1.0 109.904 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.16 -37.07 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -97.39 -61.18 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.629 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 54.6 mmtt -96.34 6.21 49.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.978 0.733 . . . . 1.0 112.978 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.1 m80 52.82 27.62 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.227 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.99 152.04 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.589 ' NH1' ' SG ' ' A' ' 52' ' ' CYS . 78.2 mtt180 -76.05 -41.85 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.74 -0.384 . . . . 1.0 111.401 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.613 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -130.14 -3.64 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.711 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.613 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.64 101.53 0.01 OUTLIER Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -116.71 129.18 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.697 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 17.0 m -104.51 141.19 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.416 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CD1' HD12 ' A' ' 48' ' ' ILE . 83.1 m-85 -128.34 160.63 31.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.273 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.447 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 21.5 m-85 -93.73 125.94 38.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.456 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 46.6 p-10 -99.44 -171.42 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.574 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 53.0 mp0 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -73.65 4.08 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.41 19.52 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.359 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.715 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -103.8 155.15 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.193 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.3 mt -85.95 107.7 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.737 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.715 ' NE2' HD21 ' A' ' 44' ' ' ASN . 59.9 mm-40 -87.66 122.35 31.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.609 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.63 107.99 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.612 HD12 ' CD1' ' A' ' 38' ' ' PHE . 17.7 mt -108.65 103.41 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.648 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 8' ' ' TYR . 35.1 m -68.22 126.49 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.529 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.843 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 p30 -108.82 139.15 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.167 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.443 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 20.3 m-85 -112.27 94.7 5.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.27 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.589 ' SG ' ' NH1' ' A' ' 33' ' ' ARG . 3.0 m 73.38 -69.12 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.725 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.6 mp0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 1.0 110.993 -179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.877 0.37 . . . . 1.0 110.562 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -97.26 134.82 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.189 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 9.7 mtmp? -140.49 123.01 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.67 129.86 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.466 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD1' ' CE ' ' A' ' 30' ' ' LYS . 36.3 m-85 -107.12 76.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.315 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 52.4 mp0 -62.84 -9.22 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.39 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.529 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.0 m-20 -91.32 18.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 1.0 109.908 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.833 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 71.3 m-85 -153.02 40.94 0.18 Allowed Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.94 0.718 . . . . 1.0 112.94 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.833 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.1 Cg_endo -87.47 117.06 1.19 Allowed 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.22 2.614 . . . . 1.0 109.636 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.7 t -134.49 143.02 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.535 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -51.69 -33.95 36.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.414 ' H ' HG12 ' A' ' 13' ' ' VAL . 35.3 mtmm -59.44 -27.02 65.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.666 -0.697 . . . . 1.0 109.966 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 55.5 m -63.43 -24.95 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.18 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -44.25 -15.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.86 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.8 mt -101.47 103.49 14.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.289 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.8 -15.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.441 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.662 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -80.32 -47.66 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -61.51 -38.52 87.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.346 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.61 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 29.6 m -53.76 -60.08 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.689 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.662 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.8 p-10 -67.65 -42.05 82.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 1.0 111.603 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.409 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -65.26 -53.54 42.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.834 0.35 . . . . 1.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -62.21 -44.95 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 1.0 111.111 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 30' ' ' LYS . 65.9 m -57.35 -44.06 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.347 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 47.0 mttm -56.34 -40.68 74.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.126 0.488 . . . . 1.0 110.009 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.28 -39.47 71.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.185 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -98.57 -61.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.115 0.783 . . . . 1.0 113.115 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.636 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 39.5 mmtm -90.8 2.98 55.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.98 0.733 . . . . 1.0 112.98 -177.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' CYS . 23.1 m80 53.93 21.12 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.841 -0.343 . . . . 1.0 111.211 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.42 153.77 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.5 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 20.5 mmt85 -78.88 -41.22 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.371 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.638 ' O ' ' O ' ' A' ' 35' ' ' GLY . 4.5 t -128.87 -4.02 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.755 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.638 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 22.95 102.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.56 134.59 54.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.992 -0.373 . . . . 1.0 109.992 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.61 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 66.3 m -107.68 143.65 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.446 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.714 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.2 m-85 -132.66 163.92 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.285 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -90.08 130.37 36.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.393 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.0 p30 -99.76 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.511 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.5 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -79.92 10.19 4.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.582 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 61.2 17.38 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.299 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -97.14 151.34 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.241 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.4 mt -87.49 105.73 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -87.64 125.92 34.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.594 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.6 m -82.57 106.19 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.714 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.7 mt -98.62 102.18 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -83.14 135.63 34.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.571 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.786 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.1 p30 -114.81 143.99 44.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.197 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' ' 53' ' ' GLU . 10.7 m-85 -113.5 95.39 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.232 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 71.84 -29.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.767 177.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 51' ' ' TYR . 79.0 mm-40 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.006 -178.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 m . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.818 0.342 . . . . 1.0 110.615 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.21 128.04 36.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.158 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.3 mtmm -135.55 130.68 34.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.66 135.51 27.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.427 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 11.0 m-85 -132.31 77.45 1.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.325 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 11' ' ' TYR . 38.9 mp0 -63.24 -142.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.428 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.561 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 39.6 m-20 45.67 13.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.851 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.874 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-85 -153.86 36.1 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 113.013 0.746 . . . . 1.0 113.013 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.874 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.7 Cg_endo -88.01 115.68 0.96 Allowed 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 123.271 2.647 . . . . 1.0 109.697 175.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -136.02 145.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.654 -0.419 . . . . 1.0 111.501 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -54.44 -33.17 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.444 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 9.4 mtmp? -59.66 -27.12 66.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.052 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 38.7 m -64.33 -24.69 67.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -43.33 -17.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 1.0 109.893 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 86.3 mt -98.12 104.67 16.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.71 -17.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.422 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.667 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -79.44 -47.01 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -61.29 -38.62 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.343 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.585 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 36.1 m -54.44 -58.98 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.771 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.667 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 7.2 p-10 -67.81 -43.46 79.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.606 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.474 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -64.08 -53.09 55.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.333 . . . . 1.0 110.882 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.31 -45.15 94.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.045 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 61.4 m -56.63 -45.46 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 1.0 110.348 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -56.21 -42.09 76.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 1.0 109.914 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -37.75 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -97.28 -61.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.627 ' NZ ' ' CD1' ' A' ' 11' ' ' TYR . 36.6 mmtm -94.66 1.58 55.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.95 0.722 . . . . 1.0 112.95 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 m80 56.95 22.46 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.306 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 159.75 15.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.69 -45.79 20.55 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.307 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -130.68 -2.94 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.687 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 34.02 103.79 0.01 OUTLIER Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -113.73 127.02 55.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.096 -0.335 . . . . 1.0 110.096 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.585 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 45.4 m -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.443 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.7 m-85 -127.59 161.87 27.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 35.9 m-85 -92.4 130.87 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.447 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 51.1 p30 -99.05 -177.86 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.548 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.42 -30.59 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.577 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -79.4 9.4 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.638 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.66 17.27 8.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.392 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -95.19 150.81 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.19 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -86.96 106.01 17.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.651 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -88.18 123.98 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.637 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 38.9 m -82.92 109.59 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.737 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' CD1' ' A' ' 38' ' ' PHE . 20.7 mt -106.65 108.1 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.585 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 59.6 m -70.94 123.47 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.69 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.8 p30 -103.41 147.29 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 8.0 m-85 -110.37 96.85 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.233 178.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 76.38 -64.19 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.695 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 1.0 110.949 -179.606 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.809 0.337 . . . . 1.0 110.589 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -91.75 131.54 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.201 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.633 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -139.52 135.27 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.56 137.3 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.441 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -126.02 82.17 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 58.1 mp0 -60.72 172.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.392 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.06 -0.99 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.918 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.847 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.8 m-85 -126.4 3.71 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 113.019 0.748 . . . . 1.0 113.019 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.847 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.2 Cg_endo -79.45 119.1 4.04 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.295 2.663 . . . . 1.0 109.7 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' CYS . 7.1 t -135.84 149.57 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.576 -0.449 . . . . 1.0 111.464 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -50.11 -34.03 20.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.424 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 9.5 mtmp? -60.46 -27.25 67.4 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.026 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 18' ' ' LEU . 49.1 m -65.6 -22.19 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.131 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -43.35 -16.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 1.0 109.911 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -97.64 102.6 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.313 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.16 -15.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.463 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -80.88 -47.12 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.957 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -62.34 -39.08 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.311 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.528 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 71.3 m -54.72 -59.21 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.751 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.4 p-10 -67.46 -42.2 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.563 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.8 m-85 -65.91 -52.8 46.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 1.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.56 -45.63 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.075 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 30' ' ' LYS . 81.4 m -58.14 -44.4 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.329 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -54.89 -42.62 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 1.0 109.912 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.38 -33.19 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.7 -0.682 . . . . 1.0 111.182 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -97.17 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.62 ' NZ ' ' CZ ' ' A' ' 11' ' ' TYR . 43.7 mmtm -101.84 11.39 38.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.956 0.724 . . . . 1.0 112.956 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 51.07 30.79 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.847 -0.341 . . . . 1.0 111.209 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.71 149.93 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 59.5 mmt-85 -75.07 -42.26 57.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.371 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.682 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -129.55 -6.33 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.714 -178.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 26.43 105.98 0.0 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -126.09 141.48 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 34.2 m -110.03 141.58 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 1.0 111.367 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CD1' HD12 ' A' ' 48' ' ' ILE . 79.3 m-85 -127.47 162.94 25.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE2' HD21 ' A' ' 45' ' ' LEU . 40.2 m-85 -93.44 125.45 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.446 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 53.9 p-10 -101.82 -169.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.565 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 48.5 mp0 -67.8 -30.9 70.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.501 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.67 3.02 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 60.92 19.68 10.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.266 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.708 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -107.46 156.08 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.227 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 23.6 mt -83.32 106.86 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.693 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.708 ' NE2' HD21 ' A' ' 44' ' ' ASN . 80.2 mm-40 -85.89 123.31 31.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.7 m -79.27 105.45 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.711 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.582 HD12 ' CD1' ' A' ' 38' ' ' PHE . 19.2 mt -106.43 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.599 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.7 m -75.49 128.02 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.571 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.717 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.2 p30 -103.14 146.74 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.121 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.633 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.2 m-85 -111.38 96.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 m 77.86 -65.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.769 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 1.0 111.02 -179.181 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.9 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.836 0.351 . . . . 1.0 110.55 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -130.56 138.6 50.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.21 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.6 mtmm -147.84 122.38 9.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -84.33 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.418 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.03 84.25 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.325 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 72.0 mm-40 -65.02 165.21 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.405 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.18 1.64 3.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.868 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.794 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 29.8 m-85 -115.44 -17.66 0.1 Allowed Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 113.023 0.749 . . . . 1.0 113.023 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 87.4 Cg_exo -44.6 115.7 0.9 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.203 2.602 . . . . 1.0 109.72 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 15' ' ' LYS . 10.9 p -137.36 149.71 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.559 -0.456 . . . . 1.0 111.492 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -55.02 -34.63 63.66 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.739 ' H ' HG22 ' A' ' 13' ' ' VAL . 49.7 mtmt -58.71 -27.59 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.062 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -69.64 -21.24 63.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.246 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -45.44 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.83 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -105.78 107.0 17.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.264 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.34 -17.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.479 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -80.3 -45.27 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.976 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.51 -40.49 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.348 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 7.1 m -52.17 -59.38 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.756 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.2 p-10 -67.19 -44.73 78.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.602 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.71 -52.96 62.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.64 -44.11 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.086 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.635 ' O ' ' N ' ' A' ' 30' ' ' LYS . 93.9 m -64.41 -42.38 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 1.0 110.327 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -52.83 -46.05 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.933 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.24 -35.16 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.226 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -97.38 -61.58 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.648 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 39.5 mmtm -96.86 -0.8 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.967 0.728 . . . . 1.0 112.967 -176.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 26' ' ' CYS . 27.5 m-70 61.78 35.68 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.773 -0.371 . . . . 1.0 111.251 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.53 153.5 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 60.2 mmt-85 -84.73 -50.57 7.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.334 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.562 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m -127.89 -1.43 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.72 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 55.32 137.9 0.0 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 35' ' ' GLY . 70.6 mm-40 -143.91 106.55 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 8.4 m -108.88 132.71 53.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.374 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.496 ' CD2' HD12 ' A' ' 48' ' ' ILE . 55.5 m-85 -127.93 161.67 28.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.258 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -94.13 131.94 39.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.42 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.1 p30 -101.73 -178.64 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.533 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.53 -29.23 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 13.9 mtpp -80.03 9.03 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.59 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 62.65 13.72 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.289 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.459 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -91.96 150.69 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.195 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 mt -86.58 106.63 17.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.747 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 93.3 mm-40 -77.4 113.68 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.622 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.83 101.35 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 38' ' ' PHE . 17.3 mt -107.06 103.95 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.573 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 130.27 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.52 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.747 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.1 p30 -108.99 145.51 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.222 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.9 m-85 -112.54 94.61 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.224 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.0 m 72.93 -71.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.72 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.485 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 50.6 mp0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 1.0 110.996 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 2.3 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.812 0.339 . . . . 1.0 110.551 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.3 mmtm -99.01 135.57 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.177 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -149.21 121.9 8.64 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 7' ' ' VAL . 4.1 p -84.04 141.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.372 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -114.12 89.41 3.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.322 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -71.65 162.12 29.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.425 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 70.9 1.52 3.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 1.0 109.822 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.796 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.5 m-85 -111.81 -17.18 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 112.981 0.734 . . . . 1.0 112.981 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 79.1 Cg_exo -46.7 126.33 10.59 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 123.257 2.638 . . . . 1.0 109.591 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 11' ' ' TYR . 5.6 t -133.0 141.45 44.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.485 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 t -51.29 -30.48 18.14 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' H ' HG12 ' A' ' 13' ' ' VAL . 68.8 mttm -64.67 -26.24 68.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.038 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 75.1 m -64.14 -24.0 67.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.237 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -44.89 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.929 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.0 mt -104.25 105.3 15.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.299 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.38 -16.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.43 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.637 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -80.49 -49.77 10.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -60.42 -38.2 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.387 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.655 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 78.5 m -54.22 -60.58 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.747 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.637 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.29 -42.32 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.6 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -64.93 -54.07 36.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 1.0 110.805 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.3 -43.82 97.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.105 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.8 m -59.61 -43.21 93.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.216 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -56.48 -43.12 79.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 109.918 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.98 -43.4 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -98.45 -59.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' CYS . 49.4 mttp -83.34 0.73 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.016 0.747 . . . . 1.0 113.016 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 26' ' ' CYS . 25.1 m80 55.8 16.3 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.28 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -66.74 154.31 41.06 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 21.2 mmt85 -81.27 -42.27 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.323 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -127.43 -7.47 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.727 -178.387 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.06 101.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -112.62 128.53 56.4 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.016 -0.365 . . . . 1.0 110.016 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.655 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 20.0 m -108.59 140.4 42.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 1.0 111.406 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' A' ' 48' ' ' ILE . 81.7 m-85 -130.19 162.8 28.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.302 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -92.06 130.74 37.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 54.1 p30 -103.64 -175.58 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.588 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.7 -30.3 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.522 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -79.37 8.95 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.58 17.23 8.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.309 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -96.9 151.78 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.24 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.3 mt -86.42 103.79 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.641 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -78.39 113.17 16.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 m -77.8 100.88 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.795 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.645 HD12 ' CD1' ' A' ' 38' ' ' PHE . 25.3 mt -98.16 101.33 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.594 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 76.7 m -79.33 135.79 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.523 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.754 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.8 p30 -111.99 145.13 40.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.201 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.468 ' C ' ' H ' ' A' ' 53' ' ' GLU . 15.1 m-85 -113.81 95.55 5.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.181 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.442 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 m 73.45 -26.99 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.679 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 51' ' ' TYR . 78.0 mm-40 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.948 -178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.745 0.307 . . . . 1.0 110.541 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -96.82 134.23 40.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.641 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.5 mtmm -138.84 123.38 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.92 139.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.091 0.472 . . . . 1.0 111.423 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.49 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 9.1 m-85 -115.17 87.46 2.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.345 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.422 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 78.3 mm-40 -72.65 158.94 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.463 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 72.47 5.54 5.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.852 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.897 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.2 m-85 -116.74 -17.1 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 112.987 0.736 . . . . 1.0 112.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 76.1 Cg_exo -46.77 122.43 5.99 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.27 2.647 . . . . 1.0 109.632 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 11' ' ' TYR . 11.6 t -132.51 142.76 41.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.506 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -51.47 -32.94 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' H ' HG12 ' A' ' 13' ' ' VAL . 98.3 mttt -60.67 -26.53 67.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.928 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.5 m -64.51 -25.16 67.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -44.25 -16.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 16' ' ' CYS . 11.7 mt -101.97 104.23 14.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.322 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.0 -18.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.442 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -79.19 -48.96 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.934 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -60.31 -38.17 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.407 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 92.1 m -53.3 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.756 -0.657 . . . . 1.0 111.762 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -67.95 -44.3 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.621 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.427 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.5 m-85 -62.11 -52.56 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -64.05 -43.94 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.608 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.1 m -60.9 -42.91 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.314 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 44.4 mttm -56.78 -43.77 81.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.02 0.438 . . . . 1.0 109.963 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.46 -42.97 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -98.65 -57.49 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.055 0.761 . . . . 1.0 113.055 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 26' ' ' CYS . 84.6 mttt -87.83 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' CYS . 21.8 m80 55.92 22.5 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.848 -0.341 . . . . 1.0 111.266 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -67.38 155.74 38.21 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.541 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 23.4 mmt85 -81.14 -42.17 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.72 -0.392 . . . . 1.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.605 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -130.15 -4.06 4.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.727 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 30.24 100.72 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -113.69 128.47 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.0 m -107.21 140.91 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.378 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' A' ' 48' ' ' ILE . 83.3 m-85 -127.24 160.6 30.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.32 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 16.6 m-85 -97.89 128.16 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -103.97 -174.42 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.538 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.44 -29.75 69.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -76.25 6.79 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.559 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 60.3 14.02 4.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.438 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -94.01 150.1 20.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.159 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 35.1 mt -87.04 104.08 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.71 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.422 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 94.4 mm-40 -80.6 112.94 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.582 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 94.3 m -80.25 105.77 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 38' ' ' PHE . 60.2 mt -105.45 101.9 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.585 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 65.7 m -70.63 130.49 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.532 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.815 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.3 p30 -109.64 141.49 42.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.227 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.641 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 10.9 m-85 -110.37 96.13 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.243 177.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 75.92 -69.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.72 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.955 -179.67 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.826 0.346 . . . . 1.0 110.578 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.03 134.65 34.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.192 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.8 mtmm -145.71 127.24 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -86.52 139.03 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.433 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -126.11 81.81 2.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.31 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 57.5 mp0 -60.87 169.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.465 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER 64.26 42.97 5.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 1.0 109.909 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.911 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 6.0 m-85 -154.52 -36.34 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 112.955 0.724 . . . . 1.0 112.955 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.911 ' CD ' ' H ' ' A' ' 11' ' ' TYR . 28.1 Cg_exo -61.33 142.13 94.92 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 123.224 2.616 . . . . 1.0 109.64 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' CYS . 23.1 t -136.3 159.81 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.527 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.496 ' N ' HG12 ' A' ' 13' ' ' VAL . 20.0 m -47.07 -28.16 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.21 -26.69 62.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.001 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.606 ' C ' ' H ' ' A' ' 18' ' ' LEU . 92.3 m -66.63 -18.54 65.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.241 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -48.95 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 109.948 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.4 mt -108.94 112.3 24.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.344 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.85 -15.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.639 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.1 m-20 -81.24 -48.08 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.982 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.66 -37.0 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.324 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 6.0 m -54.77 -59.66 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.71 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.639 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.0 p-10 -67.45 -41.43 84.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.622 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.443 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.6 m-85 -66.14 -51.66 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 1.0 110.865 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.18 -44.56 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.089 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 30' ' ' LYS . 99.1 m -59.87 -41.57 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 1.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -57.73 -42.88 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 1.0 109.927 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.44 -31.99 67.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.202 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.31 -61.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 1.0 113.112 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.9 mmtt -103.68 14.94 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 48.66 28.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.29 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.95 154.89 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.504 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 58.9 mmt-85 -76.9 -48.19 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.79 -0.364 . . . . 1.0 111.344 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.2 m -128.63 -3.52 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.779 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.672 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 27.31 104.36 0.0 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 52.0 mp0 -113.57 130.58 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.4 m -106.1 133.78 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.445 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.1 m-85 -125.68 161.84 26.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.319 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.455 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 10.7 m-85 -97.0 127.87 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.09 -177.1 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.555 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.49 -29.59 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.501 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -71.39 3.81 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 62.99 18.15 10.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.363 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.747 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -107.68 154.16 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.215 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.566 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 8.4 mt -86.44 120.31 27.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.667 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.747 ' NE2' HD21 ' A' ' 44' ' ' ASN . 73.1 mm-40 -100.84 126.58 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.609 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.492 ' H ' ' HG3' ' A' ' 12' ' ' PRO . 61.4 m -86.34 111.15 20.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.716 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.4 mt -105.34 101.42 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.616 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -76.95 132.03 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.485 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.75 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.1 p30 -114.63 145.15 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.205 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.7 m-85 -111.39 96.56 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.279 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.504 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 m 78.77 -70.56 0.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.782 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 1.0 110.967 -179.622 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.82 0.343 . . . . 1.0 110.591 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.6 mmtt -98.78 129.05 45.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.175 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -139.82 116.63 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 t -84.11 130.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.417 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.22 84.33 2.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.315 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.552 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 42.4 mp0 -69.03 167.85 15.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.407 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 66.19 -2.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.877 179.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.784 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 8.6 m-85 -108.2 -19.65 0.15 Allowed Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.969 0.729 . . . . 1.0 112.969 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.3 Cg_endo -78.8 140.62 16.48 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 123.222 2.615 . . . . 1.0 109.668 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.559 HG12 ' N ' ' A' ' 14' ' ' SER . 40.5 t -135.75 162.23 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.503 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' HG12 ' A' ' 13' ' ' VAL . 33.7 m -46.9 -27.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.175 -0.676 . . . . 1.0 109.175 178.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -72.11 -27.09 62.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.97 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.613 ' C ' ' H ' ' A' ' 18' ' ' LEU . 90.4 m -66.21 -19.53 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.234 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -47.8 -8.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.852 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.1 mt -106.66 108.16 19.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.08 -12.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.45 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.649 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -82.73 -47.85 11.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.901 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.03 -36.76 84.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.324 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 3.9 m -57.11 -59.29 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.812 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.649 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.2 p-10 -66.81 -42.0 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.615 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -66.07 -52.49 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.773 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.109 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 70.8 m -62.81 -42.37 99.69 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -56.2 -42.99 78.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 1.0 109.998 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.44 -34.17 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.164 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -98.76 -62.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.058 0.762 . . . . 1.0 113.058 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' CYS . 58.1 mmtt -96.5 6.14 49.35 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.989 0.737 . . . . 1.0 112.989 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' CYS . 73.0 m-70 53.55 30.45 10.74 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.839 -0.344 . . . . 1.0 111.19 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 149.51 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 52' ' ' CYS . 78.0 mtt180 -76.34 -42.63 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.716 -0.394 . . . . 1.0 111.405 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.2 t -125.29 -6.82 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.715 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 19.35 104.04 0.0 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -123.58 140.08 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.12 132.09 54.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' A' ' 48' ' ' ILE . 56.1 m-85 -123.8 163.91 20.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.501 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 13.7 m-85 -92.64 122.5 35.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.444 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.71 -174.59 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 45.5 mp0 -64.74 -28.69 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.491 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -70.33 1.68 4.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 62.46 16.06 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.318 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.697 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -113.29 155.48 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.189 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 11.1 mt -79.33 124.7 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.728 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.697 ' NE2' HD21 ' A' ' 44' ' ' ASN . 69.8 mm-40 -107.63 125.8 51.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.638 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.1 m -82.77 106.48 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.799 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' PHE . 17.5 mt -100.28 101.6 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.75 131.07 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.529 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.863 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 4.0 p30 -111.63 139.15 47.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.47 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 56.5 m-85 -113.69 96.43 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.208 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 33' ' ' ARG . 3.3 m 76.5 -37.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.746 176.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 1.0 110.97 -178.267 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.813 0.339 . . . . 1.0 110.588 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -92.6 131.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.181 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.638 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.3 mtmm -139.74 132.12 28.44 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 t -81.74 135.09 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.507 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -125.24 79.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.295 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 54.8 mp0 -60.8 172.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.335 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.96 -3.76 2.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.892 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.803 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.4 m-85 -124.24 9.3 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 113.034 0.753 . . . . 1.0 113.034 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.803 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 90.3 Cg_endo -82.39 119.16 3.01 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 123.157 2.571 . . . . 1.0 109.681 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -135.89 152.62 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.544 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -50.86 -32.52 20.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -60.35 -27.68 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.972 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 18' ' ' LEU . 61.1 m -64.86 -24.76 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.125 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -44.01 -16.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.975 0.417 . . . . 1.0 109.905 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.2 mt -103.77 104.94 15.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.3 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.06 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.46 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.67 -46.76 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 109.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -61.84 -40.55 95.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.309 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.666 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 33.4 m -52.09 -60.22 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.803 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.9 p-10 -67.83 -43.48 79.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.674 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -63.98 -51.91 62.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 1.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.29 -47.39 79.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 87.8 m -59.2 -44.12 92.23 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.337 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.7 mtpm? -53.61 -43.44 68.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 1.0 109.967 178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.34 -34.76 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.256 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -96.7 -62.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.175 0.805 . . . . 1.0 113.175 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.614 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 65.4 mmtt -98.74 3.48 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.961 0.726 . . . . 1.0 112.961 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 58.42 29.32 18.08 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.832 -0.347 . . . . 1.0 111.235 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 153.58 41.3 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.4 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 60.8 mmt-85 -80.55 -45.64 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.289 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -129.31 -4.85 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.784 -177.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 38.39 104.46 0.01 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.24 122.07 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.666 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 34.9 m -107.28 138.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 48' ' ' ILE . 73.1 m-85 -130.31 163.98 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.301 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -91.38 133.72 35.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 53.1 p30 -104.71 -177.68 3.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.55 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.93 -30.37 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -80.46 11.47 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 61.3 13.24 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.305 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.6 t30 -92.93 146.82 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.25 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 27.0 mt -84.07 105.67 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -80.34 120.43 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.6 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -81.02 105.94 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 38' ' ' PHE . 19.1 mt -105.4 103.0 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.618 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.43 124.91 25.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.498 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.714 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.3 p30 -103.44 146.42 28.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.194 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.638 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.0 m-85 -110.88 96.44 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.195 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.47 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.14 -63.63 0.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.733 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 1.0 110.941 -179.108 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.836 0.35 . . . . 1.0 110.598 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 67.2 mmtt -89.96 130.85 36.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.162 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -141.19 130.47 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.45 138.42 20.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 1.0 111.407 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -120.44 89.89 3.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.281 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 58.4 mp0 -67.04 171.76 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.425 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.14 -3.03 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.919 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.786 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.8 m-85 -111.21 -19.73 0.12 Allowed Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 113.021 0.749 . . . . 1.0 113.021 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 81.4 Cg_exo -45.02 113.38 0.48 Allowed 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 123.229 2.619 . . . . 1.0 109.663 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 15' ' ' LYS . 8.6 p -137.41 146.21 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.53 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -51.18 -36.66 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.752 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.0 mmtm -57.57 -26.43 61.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.936 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -72.74 -18.6 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.214 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.403 ' N ' HD13 ' A' ' 45' ' ' LEU . 11.5 pt20 -45.55 -14.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.889 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.0 mt -104.28 107.39 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.274 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.44 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.464 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -80.75 -44.37 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -64.63 -40.33 95.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.308 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 17.1 m -52.37 -59.06 4.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.719 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.8 p-10 -67.22 -45.17 77.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.607 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -59.92 -53.23 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 1.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -64.31 -43.97 93.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.057 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' LYS . 89.1 m -65.71 -43.98 87.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.801 0.334 . . . . 1.0 110.287 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 14.0 mtpp -49.1 -50.96 34.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.075 0.464 . . . . 1.0 109.93 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.19 -32.57 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.206 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -96.95 -63.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.5 mmtt -100.6 1.11 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.948 0.721 . . . . 1.0 112.948 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.4 m80 59.82 67.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.222 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . -104.79 143.69 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 25.7 mmt180 -78.49 -42.87 28.44 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.314 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.8 m -129.55 -7.52 4.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.696 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.703 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 42.15 115.67 0.0 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 30.6 mp0 -125.79 120.36 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 22.7 m -111.31 126.42 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.345 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 48' ' ' ILE . 53.2 m-85 -119.62 167.4 12.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.338 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CE2' HD21 ' A' ' 45' ' ' LEU . 24.5 m-85 -101.52 123.25 45.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.437 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 55.4 p30 -95.46 -164.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.539 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -69.68 -28.9 66.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.71 2.3 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.711 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.33 18.63 9.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.332 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.726 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -100.57 156.67 17.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.269 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 39' ' ' TYR . 28.9 mt -83.13 105.06 13.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.698 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.726 ' NE2' HD21 ' A' ' 44' ' ' ASN . 92.8 mm-40 -80.42 109.83 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.8 m -74.06 102.75 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.763 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 38' ' ' PHE . 15.7 mt -103.31 100.98 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.619 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.9 m -78.94 126.49 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.746 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.2 p30 -106.53 145.72 31.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.167 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.486 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.1 m-85 -110.91 95.85 5.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.248 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.609 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 78.02 -65.64 0.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.706 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 . . . . . 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 1.0 111.024 -179.772 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.835 0.35 . . . . 1.0 110.512 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -98.27 136.54 38.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.196 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.628 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.2 mtmm -146.97 123.06 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.81 136.03 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.499 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -110.58 79.26 1.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.326 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.44 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 74.7 mm-40 -63.03 156.24 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.396 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.568 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.37 48.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.88 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 10' ' ' ASN . 6.2 m-85 -155.14 -57.4 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.1 Cg_endo -39.5 136.24 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 123.246 2.631 . . . . 1.0 109.706 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.606 HG22 ' N ' ' A' ' 14' ' ' SER . 4.6 p -138.29 163.26 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.533 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.606 ' N ' HG22 ' A' ' 13' ' ' VAL . 22.4 m -45.24 -32.53 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.572 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.2 mmtm -69.77 -27.04 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 1.0 109.944 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.588 ' N ' ' O ' ' A' ' 13' ' ' VAL . 94.5 m -67.27 -19.76 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.19 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.1 pt20 -47.98 -9.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.829 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' A' ' 16' ' ' CYS . 80.5 mt -106.53 109.28 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.225 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.9 -12.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.432 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -83.67 -49.7 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.07 -36.84 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.365 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 99.1 m -58.85 -59.82 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.778 -178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -65.12 -42.43 93.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.658 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.61 -54.16 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 1.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -62.15 -40.17 95.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.059 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 30' ' ' LYS . 73.0 m -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.33 . . . . 1.0 110.349 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -57.92 -45.1 87.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.014 0.435 . . . . 1.0 109.926 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.46 -40.84 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.139 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.68 -60.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' CYS . 81.1 mttt -84.48 4.91 29.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -177.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' CYS . 72.6 m-70 53.35 16.53 0.88 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.266 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -69.06 152.06 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 20.3 mmm180 -79.12 -42.84 25.34 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.409 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.603 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.7 t -127.17 -7.99 5.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.673 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.603 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.51 100.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -113.91 131.09 56.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.997 -0.372 . . . . 1.0 109.997 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 59.3 m -110.33 137.04 48.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.36 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CD1' HD12 ' A' ' 48' ' ' ILE . 58.0 m-85 -129.64 165.07 22.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.243 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.475 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 m-85 -93.75 130.85 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.345 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.9 p-10 -101.53 -174.71 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.565 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 47.8 mp0 -66.98 -30.18 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.69 5.16 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 62.7 17.72 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.316 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.515 ' C ' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -108.21 153.07 23.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.252 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.623 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 10.1 mt -81.41 120.59 25.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.692 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' HD21 ' A' ' 44' ' ' ASN . 82.4 mm-40 -99.06 119.87 38.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.645 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 88.5 m -82.56 104.26 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.796 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 38' ' ' PHE . 31.2 mt -99.37 100.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 95.0 m -77.56 135.35 38.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.544 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.802 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.1 p30 -111.91 143.23 43.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.4 m-85 -113.7 96.7 5.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.225 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 75.07 -35.72 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.697 176.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 51' ' ' TYR . 77.7 mm-40 . . . . . 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 1.0 111.005 -178.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 3.5 m . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.818 0.342 . . . . 1.0 110.477 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -102.63 140.54 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.202 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -141.33 115.26 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.79 131.22 35.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.478 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.624 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.4 m-85 -112.72 85.11 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.315 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 77.6 mm-40 -70.17 161.51 30.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.429 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.555 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 73.12 -0.13 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.914 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.3 m-85 -110.27 -18.21 0.13 Allowed Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 112.957 0.725 . . . . 1.0 112.957 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -47.18 124.92 9.67 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 123.277 2.651 . . . . 1.0 109.687 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 11' ' ' TYR . 5.5 t -132.71 139.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.551 -0.46 . . . . 1.0 111.501 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -51.53 -29.32 16.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.566 ' H ' HG12 ' A' ' 13' ' ' VAL . 62.8 mttp -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.013 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' A' ' 18' ' ' LEU . 85.0 m -65.7 -22.6 66.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.228 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -43.68 -16.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.893 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.6 mt -100.35 105.67 17.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.289 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.32 -18.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.448 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.644 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -78.99 -49.14 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.946 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -60.29 -39.31 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.391 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 90.1 m -52.23 -60.77 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.767 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.644 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.3 p-10 -68.08 -43.84 77.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.644 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.457 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -62.77 -54.2 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -62.7 -43.86 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.022 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.2 m -60.36 -44.38 95.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.747 0.308 . . . . 1.0 110.278 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -55.59 -44.56 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.024 0.44 . . . . 1.0 109.923 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.97 -44.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -98.15 -57.86 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.586 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.0 mttp -84.63 -1.47 56.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.915 0.709 . . . . 1.0 112.915 -176.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' CYS . 60.8 m-70 57.5 17.18 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.223 178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -68.84 154.0 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 64.3 mtt-85 -77.23 -46.58 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.384 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.7 m -128.99 -2.42 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.802 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 36.49 104.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 49.5 mp0 -109.17 123.42 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.671 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 8.0 m -106.78 128.67 54.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.375 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CD1' HD12 ' A' ' 48' ' ' ILE . 73.9 m-85 -119.54 161.23 20.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.28 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 45' ' ' LEU . 25.6 m-85 -96.86 127.96 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.413 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 48.5 p-10 -102.84 -169.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -68.8 -31.03 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.431 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -73.97 4.04 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.43 18.71 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.354 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.728 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -100.63 155.68 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.222 179.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.437 HD21 ' CE2' ' A' ' 39' ' ' TYR . 36.7 mt -86.27 104.31 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.728 ' NE2' HD21 ' A' ' 44' ' ' ASN . 83.5 mm-40 -80.0 111.94 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.3 m -81.79 106.94 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 38' ' ' PHE . 56.0 mt -105.36 102.8 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.622 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.624 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 m -66.59 125.93 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.535 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.859 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.0 p30 -108.54 139.21 43.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.471 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 15.2 m-85 -111.45 95.45 5.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.179 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.486 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 3.3 m 76.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.65 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.7 mp0 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 1.0 111.011 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.788 0.328 . . . . 1.0 110.566 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -90.85 127.71 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.221 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -134.77 136.83 42.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.3 t -79.58 133.64 29.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.45 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.403 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 10.0 m-85 -123.7 79.03 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.283 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 45.7 mp0 -66.15 179.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.16 10.33 3.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.95 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.947 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -147.56 31.94 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.947 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 5.2 Cg_exo -84.08 117.34 2.21 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.267 2.645 . . . . 1.0 109.665 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 15' ' ' LYS . 6.5 t -134.59 140.82 44.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.508 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.2 m -51.79 -33.4 35.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.18 -0.674 . . . . 1.0 109.18 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.535 ' H ' HG12 ' A' ' 13' ' ' VAL . 68.6 mttm -58.42 -27.43 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.97 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.1 m -65.03 -24.91 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -43.1 -17.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.85 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' CYS . 85.2 mt -98.72 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.284 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.95 -16.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.417 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -79.92 -47.46 15.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.47 -39.21 92.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.352 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.545 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 95.0 m -52.93 -59.44 4.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.701 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.8 p-10 -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.541 -177.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.434 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.7 m-85 -64.85 -51.05 64.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.814 0.34 . . . . 1.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -64.21 -47.26 80.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.7 m -56.79 -45.38 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.317 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -55.25 -41.74 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.024 0.44 . . . . 1.0 109.948 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.1 mt -71.42 -36.31 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.212 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.39 -62.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.625 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 41.2 mmtm -95.56 2.74 54.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.033 0.753 . . . . 1.0 113.033 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 57.24 25.05 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.799 -0.36 . . . . 1.0 111.199 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.09 153.47 37.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mmt-85 -75.28 -43.29 52.03 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.718 -0.393 . . . . 1.0 111.388 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.646 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -131.32 -1.85 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.743 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.646 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.23 103.59 0.01 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.424 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 79.1 mm-40 -116.87 131.18 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.042 -0.355 . . . . 1.0 110.042 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.9 m -106.8 142.46 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.003 0.43 . . . . 1.0 111.383 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 48' ' ' ILE . 86.0 m-85 -130.05 162.42 28.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.315 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CE2' HD21 ' A' ' 45' ' ' LEU . 57.9 m-85 -94.38 125.44 39.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.378 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 41.6 p-10 -99.65 -169.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.659 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 7.1 pm0 -71.04 -29.35 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.481 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' ' HZ2' ' A' ' 42' ' ' LYS . 9.1 mtmp? -75.32 4.38 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 61.75 18.87 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.299 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.718 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -103.17 155.85 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.233 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 39' ' ' TYR . 39.0 mt -86.31 106.18 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.674 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' NE2' HD21 ' A' ' 44' ' ' ASN . 78.2 mm-40 -83.39 119.33 24.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.608 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 32.9 m -78.42 104.56 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.756 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.629 HD12 ' CD1' ' A' ' 38' ' ' PHE . 16.2 mt -105.01 106.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.6 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 61.1 m -73.43 125.11 27.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.539 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.4 p30 -103.58 146.84 27.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.477 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.2 m-85 -109.78 97.2 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.244 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.477 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.55 -63.11 0.39 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.712 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 1.0 110.953 -179.632 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.812 0.339 . . . . 1.0 110.625 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -92.42 136.78 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.181 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -140.93 127.52 20.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -84.1 132.41 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.431 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.75 89.27 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.323 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.429 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 70.5 mm-40 -68.88 173.8 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.438 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 71.84 -1.75 2.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.835 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.919 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m-85 -113.78 -14.97 0.11 Allowed Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 112.942 0.719 . . . . 1.0 112.942 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.805 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.9 Cg_exo -48.41 118.87 3.58 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 123.266 2.644 . . . . 1.0 109.712 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 11' ' ' TYR . 13.9 t -132.62 141.39 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.52 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 m -49.81 -32.52 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.608 ' H ' HG12 ' A' ' 13' ' ' VAL . 62.7 mttp -62.74 -27.98 69.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.609 -0.723 . . . . 1.0 109.986 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 18' ' ' LEU . 70.9 m -63.85 -18.46 64.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.178 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.413 ' N ' HD13 ' A' ' 45' ' ' LEU . 13.2 pt20 -43.38 -16.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 1.0 109.874 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -103.3 104.2 14.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.215 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.97 -15.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.521 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.576 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -81.65 -42.36 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.022 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' LEU . 70.4 mm-40 -64.39 -41.21 96.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.375 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.627 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 5.7 m -54.94 -59.7 4.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.733 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.576 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.7 p-10 -63.95 -42.83 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.619 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -65.53 -48.0 73.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 1.0 110.88 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.4 -43.9 96.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.122 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.9 m -57.44 -45.3 84.85 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.303 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -54.8 -42.61 72.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.888 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -39.15 72.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.192 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -96.97 -61.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 62.1 mmtt -92.32 4.11 54.02 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -176.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' CYS . 61.8 m-70 57.94 17.46 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.288 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 173.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.854 -0.425 . . . . 1.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 76.6 mtt85 -100.28 -68.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.344 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' ' O ' ' A' ' 35' ' ' GLY . 6.9 t -130.31 31.73 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.773 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -40.16 170.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 51.8 mp0 -146.09 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.627 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 1.9 m -110.31 135.62 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.347 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.631 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.0 m-85 -123.22 163.63 20.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CE2' HD21 ' A' ' 45' ' ' LEU . 78.4 m-85 -96.58 130.91 43.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.442 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 43.3 p-10 -104.9 -163.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.637 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 2.2 pm0 -74.18 -33.17 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.501 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -73.88 5.97 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 60.56 18.44 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.335 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.706 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -98.67 155.29 17.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.289 179.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 17' ' ' GLN . 20.4 mt -86.18 102.73 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.684 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.706 ' NE2' HD21 ' A' ' 44' ' ' ASN . 72.3 mm-40 -79.26 115.44 18.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.609 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 m -81.58 111.76 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.8 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.631 HD12 ' CD1' ' A' ' 38' ' ' PHE . 33.8 mt -106.17 102.79 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.579 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.7 m -73.54 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.551 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.735 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.4 p30 -106.74 146.55 30.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.239 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.481 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.9 m-85 -111.49 98.42 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.201 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.37 -59.64 0.46 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.741 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 1.0 110.935 -179.254 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.768 0.318 . . . . 1.0 110.526 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -90.67 131.29 36.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.181 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.63 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -140.28 130.7 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.48 131.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.439 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -114.87 78.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.33 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 77.6 mm-40 -62.76 172.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.481 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.552 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.83 10.37 3.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.905 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.968 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 57.8 m-85 -142.87 29.02 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.966 0.728 . . . . 1.0 112.966 179.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.968 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.3 Cg_endo -86.67 117.33 1.43 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 123.323 2.682 . . . . 1.0 109.635 176.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.5 HG12 ' H ' ' A' ' 15' ' ' LYS . 7.7 t -135.52 145.31 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.415 . . . . 1.0 111.497 -177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -52.03 -34.13 41.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.5 ' H ' HG12 ' A' ' 13' ' ' VAL . 98.8 mttt -58.29 -27.43 64.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.981 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' LEU . 33.8 m -63.62 -26.75 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.22 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -43.61 -16.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.959 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.9 mt -99.74 102.09 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.09 -15.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.671 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -81.63 -46.52 14.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -62.46 -39.18 92.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.344 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.619 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 77.8 m -55.65 -58.66 6.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.717 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.671 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.07 -42.54 84.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.588 -177.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.1 m-85 -66.01 -52.36 50.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 1.0 110.844 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -62.59 -45.1 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.037 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.2 m -57.97 -44.28 86.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.333 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -55.69 -42.15 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 1.0 109.906 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.28 -37.61 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.205 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -98.02 -61.93 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -177.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.611 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 36.7 mmtm -93.59 4.11 54.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' CYS . 29.8 m80 55.93 21.01 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.279 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -64.26 150.67 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HE ' ' N ' ' A' ' 52' ' ' CYS . 57.4 mtt-85 -72.7 -46.36 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.729 -0.388 . . . . 1.0 111.447 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.694 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.3 t -129.61 -1.52 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.754 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.694 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 28.76 105.99 0.0 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 22.5 mp0 -116.74 132.91 56.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.004 -0.369 . . . . 1.0 110.004 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.619 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.6 m -107.06 140.65 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.428 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 48' ' ' ILE . 89.5 m-85 -126.73 161.27 28.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.293 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.492 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.7 m-85 -96.58 123.72 40.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.94 -176.51 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.525 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -63.65 -29.26 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -76.86 5.3 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.572 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 61.51 18.39 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.317 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.56 151.81 20.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.247 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 24.0 mt -89.14 105.09 17.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 1.0 110.718 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 9' ' ' GLU . 63.9 mm-40 -87.31 125.78 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.602 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.8 m -83.3 108.21 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.706 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 38' ' ' PHE . 20.0 mt -105.36 104.48 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.571 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.3 m -77.15 132.71 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.551 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.755 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.5 p30 -108.87 146.0 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.63 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 12.6 m-85 -113.49 98.77 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.243 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.69 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 3.7 m 79.65 -71.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.718 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 1.0 110.999 -179.413 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m . . . . . 0 C--O 1.232 0.148 0 CA-C-O 120.77 0.319 . . . . 1.0 110.538 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -87.88 136.36 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.217 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HZ2' ' HB3' ' A' ' 6' ' ' LYS . 15.2 mtpp -142.22 123.86 15.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.35 138.92 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.458 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -118.4 90.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.358 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -70.99 165.35 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 70.26 -0.0 3.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.114 -0.494 . . . . 1.0 109.939 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m-85 -111.78 -17.08 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 113.002 0.741 . . . . 1.0 113.002 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 77.3 Cg_exo -47.1 125.39 10.14 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.274 2.649 . . . . 1.0 109.645 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.1 t -132.73 143.12 40.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.651 -0.42 . . . . 1.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -51.02 -29.61 12.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.543 ' H ' HG12 ' A' ' 13' ' ' VAL . 92.3 mttt -66.95 -26.14 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.0 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' LEU . 82.2 m -59.61 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -45.57 -15.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 1.0 109.908 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.5 mt -104.55 101.72 11.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.293 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.72 -14.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.42 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.705 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 89.1 m-20 -84.42 -45.7 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.916 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -62.49 -40.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.326 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.585 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -58.6 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.79 -178.019 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.705 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.3 p-10 -63.67 -43.12 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.653 -177.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.99 -53.46 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 1.0 110.888 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -61.91 -43.99 97.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 68.6 m -58.34 -45.87 87.31 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.291 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.563 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 36.3 mttp -52.79 -42.05 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 1.0 109.935 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -71.08 -44.12 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.35 -60.08 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.087 0.773 . . . . 1.0 113.087 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 26' ' ' CYS . 47.0 mttp -84.76 -1.86 56.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -176.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' CYS . 28.1 m80 57.29 20.58 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.86 -0.336 . . . . 1.0 111.219 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -67.26 151.65 47.12 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.563 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 31.4 mmt180 -81.87 -37.59 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.789 -0.364 . . . . 1.0 111.333 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.622 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -131.38 -7.09 3.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.742 -178.605 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.7 103.01 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 34.9 mp0 -106.52 136.56 46.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.585 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -112.29 136.23 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.385 -179.445 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.694 ' CD1' HD12 ' A' ' 48' ' ' ILE . 90.9 m-85 -132.34 161.56 33.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.315 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.83 134.02 37.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.433 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -105.64 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.636 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 46.8 mp0 -66.39 -30.23 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.625 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -80.06 11.03 3.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.659 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 61.06 14.08 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.301 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -93.65 151.71 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.206 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.1 mt -87.08 104.57 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.728 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -78.58 113.29 16.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.588 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.99 102.0 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.694 HD12 ' CD1' ' A' ' 38' ' ' PHE . 32.2 mt -98.73 101.26 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.573 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.472 ' HG ' ' HD3' ' A' ' 30' ' ' LYS . 81.8 m -78.75 134.25 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.519 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.756 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.8 p30 -106.44 147.11 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.488 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.9 m-85 -112.1 99.23 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.257 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.511 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 m 79.02 -56.75 0.44 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.694 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 1.0 110.945 -179.007 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.1 m . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.855 0.36 . . . . 1.0 110.584 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -131.97 141.28 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.226 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -152.09 124.0 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.39 140.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.45 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 18.6 m-85 -118.34 90.46 3.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 56.2 mp0 -71.61 163.04 28.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.439 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.31 2.88 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 1.0 109.933 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.894 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.4 m-85 -114.2 -19.75 0.11 Allowed Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 113.044 0.757 . . . . 1.0 113.044 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -46.36 115.91 1.34 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 123.276 2.65 . . . . 1.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 11' ' ' TYR . 85.3 t -133.6 145.04 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.545 -0.462 . . . . 1.0 111.452 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.9 t -49.8 -39.9 39.86 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.726 ' H ' HG12 ' A' ' 13' ' ' VAL . 25.2 pttt -54.99 -26.67 38.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.041 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.1 m -65.4 -25.21 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.241 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -43.94 -16.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.892 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.7 mt -100.39 104.53 15.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.301 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.14 -18.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.404 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.647 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -78.01 -50.15 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.928 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -59.94 -38.47 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.264 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.646 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 84.3 m -51.67 -61.62 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.755 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.647 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.5 p-10 -68.38 -43.94 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.608 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.6 m-85 -62.27 -54.24 43.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 1.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -62.7 -44.41 96.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.112 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.592 ' O ' ' N ' ' A' ' 30' ' ' LYS . 64.9 m -58.68 -43.38 89.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.294 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 41.0 mttm -56.27 -42.9 78.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 1.0 109.9 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.85 -43.75 71.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.189 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -98.4 -57.92 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.141 0.793 . . . . 1.0 113.141 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.4 mttp -86.07 -3.63 58.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.018 0.747 . . . . 1.0 113.018 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.1 m-70 58.07 19.43 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.19 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.437 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -65.37 156.1 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.52 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 85.9 mtt-85 -83.67 -40.99 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.726 -0.389 . . . . 1.0 111.293 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.612 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -129.9 -4.26 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.771 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.612 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.87 102.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 78.3 mm-40 -111.49 124.34 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.646 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.6 m -107.0 138.83 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.335 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 48' ' ' ILE . 78.1 m-85 -129.47 163.88 24.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.271 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -94.37 132.34 39.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -103.87 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.67 -30.37 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.72 9.68 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.57 16.97 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.305 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -95.19 150.51 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.243 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.92 104.02 15.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.696 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -78.89 112.93 16.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.636 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 m -78.6 103.82 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.761 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 38' ' ' PHE . 32.7 mt -104.65 101.87 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.588 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 64.6 m -70.18 127.84 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.52 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.748 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.2 p30 -111.92 144.94 40.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.109 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.423 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 16.6 m-85 -112.38 94.55 4.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.205 177.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 2.9 m 72.02 -69.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.71 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.918 -179.068 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.875 0.369 . . . . 1.0 110.584 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -93.26 134.15 35.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -143.31 134.87 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.15 139.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.454 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -119.22 87.56 2.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.314 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 57.1 mp0 -66.95 165.04 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.425 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.545 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.12 0.92 3.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.871 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.788 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 28.6 m-85 -115.88 -19.99 0.1 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.788 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.6 Cg_exo -46.8 116.28 1.59 Allowed 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 123.248 2.632 . . . . 1.0 109.643 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 11' ' ' TYR . 4.7 m -138.05 149.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.627 -0.429 . . . . 1.0 111.527 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 25.5 t -54.64 -25.2 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.59 -29.93 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.058 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' LEU . 56.2 m -68.6 -20.76 64.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.8 pt20 -44.79 -15.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 1.0 109.927 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -104.19 105.18 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.324 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.58 -16.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.474 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.651 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.4 m-20 -81.06 -47.14 13.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.973 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -61.17 -39.01 88.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.328 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.72 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 68.1 m -54.52 -59.99 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.73 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.651 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.19 -42.74 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.63 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -65.0 -53.65 42.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 1.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.36 -44.76 95.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.076 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.3 m -58.72 -44.2 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 1.0 110.348 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.3 mtpm? -55.31 -42.9 74.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.984 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.91 -43.64 67.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.138 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -97.96 -59.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.2 mttp -84.85 -0.89 55.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . 63.2 m-70 57.17 17.46 3.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.768 -0.373 . . . . 1.0 111.27 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -66.48 152.41 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 12.0 mmm180 -79.09 -40.74 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.778 -0.369 . . . . 1.0 111.344 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.636 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -128.72 -7.11 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.734 -178.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.02 102.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -115.35 133.46 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.06 -0.348 . . . . 1.0 110.06 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.72 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 23.2 m -110.5 141.76 43.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 1.0 111.361 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' HD12 ' A' ' 48' ' ' ILE . 79.7 m-85 -131.29 165.24 23.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.318 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 28.7 m-85 -97.84 130.55 44.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.383 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 52.5 p-10 -107.17 -169.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.508 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -68.63 -30.31 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.493 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -74.6 6.3 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.608 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 58.9 15.2 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.322 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.718 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -99.82 155.66 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.197 179.452 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -85.45 104.44 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.701 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.718 ' NE2' HD21 ' A' ' 44' ' ' ASN . 88.6 mm-40 -79.64 116.37 19.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.624 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.8 m -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.782 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.59 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.0 mt -102.91 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.634 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.56 ' HG ' ' HD3' ' A' ' 30' ' ' LYS . 78.7 m -77.72 132.31 38.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.564 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.723 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.9 p30 -106.1 146.41 30.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.191 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.484 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.1 m-85 -111.99 97.43 6.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.484 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 77.83 -65.12 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.717 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.0 111.005 -178.72 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 m . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.803 0.335 . . . . 1.0 110.551 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.47 130.03 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.174 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -138.19 128.52 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.36 136.21 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.469 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 9' ' ' GLU . 13.8 m-85 -135.05 79.31 1.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.338 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 40.9 mp0 -60.45 -141.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.432 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 47.5 m-20 42.97 16.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.958 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.9 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 32.0 m-85 -153.37 32.94 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 112.99 0.737 . . . . 1.0 112.99 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.9 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.2 Cg_endo -90.06 115.17 0.56 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.303 2.669 . . . . 1.0 109.689 176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 15' ' ' LYS . 5.8 t -137.7 146.32 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.515 -177.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.4 p -54.14 -30.62 49.73 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.503 ' H ' HG12 ' A' ' 13' ' ' VAL . 64.6 mttm -63.89 -29.33 70.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.0 m -65.08 -19.85 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -42.62 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.869 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 71.7 mt -96.51 103.87 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.376 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.2 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.501 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.573 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.53 -45.26 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 63.3 mm-40 -62.2 -40.46 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.34 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.59 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 4.0 m -53.55 -60.51 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.734 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.573 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.4 p-10 -65.42 -43.99 88.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.42 -0.355 . . . . 1.0 111.583 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.16 -48.14 79.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 1.0 110.838 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.81 -43.69 97.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.054 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.603 ' O ' ' N ' ' A' ' 30' ' ' LYS . 94.1 m -57.65 -45.75 85.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.817 0.341 . . . . 1.0 110.365 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -54.85 -44.64 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.046 0.451 . . . . 1.0 109.996 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.14 -39.14 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.08 -59.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.132 0.79 . . . . 1.0 113.132 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' A' ' 26' ' ' CYS . 65.8 mmtt -93.8 3.33 55.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.002 0.742 . . . . 1.0 113.002 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' CYS . 26.7 m80 57.94 19.47 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.265 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.45 176.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.884 -0.413 . . . . 1.0 109.884 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 80.4 mtt-85 -99.1 -69.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.779 -0.368 . . . . 1.0 111.375 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.576 ' O ' ' O ' ' A' ' 35' ' ' GLY . 58.8 m -131.51 31.6 4.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.741 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -39.36 168.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 51.0 mp0 -145.64 161.09 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.59 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 5.7 m -106.38 135.62 47.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.408 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PHE . . . . . 0.667 ' CD1' HD12 ' A' ' 48' ' ' ILE . 91.5 m-85 -122.13 161.89 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.236 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 45' ' ' LEU . 89.0 m-85 -93.78 126.64 39.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.458 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -94.83 -168.56 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.524 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -67.83 -34.63 77.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.05 9.6 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 61.85 18.58 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.04 149.21 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.288 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 39' ' ' TYR . 30.5 mt -83.53 102.56 12.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.77 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -86.11 122.04 29.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.611 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 57.6 m -83.64 114.58 21.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.751 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.667 HD12 ' CD1' ' A' ' 38' ' ' PHE . 33.2 mt -109.55 109.55 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.3 m -73.67 124.96 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.755 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.0 p30 -104.8 146.51 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.181 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 m-85 -110.34 97.92 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.203 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.42 -70.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.702 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 1.0 110.961 -179.082 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.3 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.811 0.338 . . . . 1.0 110.549 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -58.18 -36.95 73.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.558 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.493 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.3 m -93.79 -1.54 54.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.578 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 33.8 mmtm -117.09 141.44 48.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.198 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 81.8 mttt -143.11 113.97 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.537 -0.542 . . . . 1.0 109.537 178.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.426 ' CG1' ' OE2' ' A' ' 9' ' ' GLU . 15.6 t -82.38 129.33 37.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.458 -179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.412 ' CE2' ' SG ' ' A' ' 49' ' ' CYS . 59.3 m-85 -115.06 77.8 1.1 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.282 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.49 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 53.6 mp0 -63.61 -9.88 15.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.402 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.547 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.1 m-20 -91.27 17.92 7.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.099 -0.5 . . . . 1.0 109.911 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.825 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -152.58 41.21 0.19 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 112.962 0.727 . . . . 1.0 112.962 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.825 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.1 Cg_endo -89.09 116.99 0.79 Allowed 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.246 2.631 . . . . 1.0 109.652 176.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -134.61 140.97 44.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.508 -177.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 90.0 p -53.58 -32.26 50.22 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.251 -0.648 . . . . 1.0 109.251 178.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.462 ' H ' HG12 ' A' ' 13' ' ' VAL . 89.8 mttt -58.98 -26.73 64.73 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.649 -0.705 . . . . 1.0 110.019 178.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.3 m -65.66 -24.74 67.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.201 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -42.26 -18.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.243 -0.435 . . . . 1.0 109.885 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 84.8 mt -97.52 105.14 17.24 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.854 -0.612 . . . . 1.0 110.287 179.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.8 -18.44 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.48 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.646 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -78.59 -48.42 15.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 1.0 109.984 179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 82.8 mm-40 -60.85 -39.39 88.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.373 178.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.697 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 92.4 m -51.92 -60.52 3.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.828 -0.624 . . . . 1.0 111.734 -178.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.646 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.4 p-10 -68.59 -42.69 77.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.4 -0.363 . . . . 1.0 111.632 -177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -64.2 -52.92 56.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.789 0.328 . . . . 1.0 110.788 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.0 m-20 -63.22 -46.22 88.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.066 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 75.1 m -57.82 -45.33 86.31 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.876 -0.33 . . . . 1.0 110.324 179.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -55.22 -41.84 72.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.074 0.464 . . . . 1.0 109.904 178.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 83.3 mt -71.16 -37.07 72.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.691 -0.686 . . . . 1.0 111.188 179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -97.39 -61.18 1.43 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.629 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 54.6 mmtt -96.34 6.21 49.27 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.978 0.733 . . . . 1.0 112.978 -176.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.1 m80 52.82 27.62 5.6 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.227 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.99 152.04 45.48 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.813 -0.44 . . . . 1.0 109.813 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.589 ' NH1' ' SG ' ' A' ' 52' ' ' CYS . 78.2 mtt180 -76.05 -41.85 49.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.74 -0.384 . . . . 1.0 111.401 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.613 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -130.14 -3.64 4.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.711 -178.676 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.613 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.64 101.53 0.01 OUTLIER Glycine 0 CA--C 1.527 0.821 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 -179.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -116.71 129.18 55.97 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 -179.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.697 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 17.0 m -104.51 141.19 36.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.262 -0.427 . . . . 1.0 111.416 -179.64 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.612 ' CD1' HD12 ' A' ' 48' ' ' ILE . 83.1 m-85 -128.34 160.63 31.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 1.0 110.273 179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.447 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 21.5 m-85 -93.73 125.94 38.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.441 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.456 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 46.6 p-10 -99.44 -171.42 2.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.574 179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.424 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 53.0 mp0 -67.83 -31.05 70.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -73.65 4.08 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.588 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.41 19.52 10.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.359 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.715 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -103.8 155.15 18.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.006 -0.543 . . . . 1.0 110.193 179.78 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.3 mt -85.95 107.7 17.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.737 -179.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.715 ' NE2' HD21 ' A' ' 44' ' ' ASN . 59.9 mm-40 -87.66 122.35 31.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.609 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.5 m -80.63 107.99 13.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.734 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.612 HD12 ' CD1' ' A' ' 38' ' ' PHE . 17.7 mt -108.65 103.41 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.648 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.412 ' SG ' ' CE2' ' A' ' 8' ' ' TYR . 35.1 m -68.22 126.49 29.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.529 179.418 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.843 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.3 p30 -108.82 139.15 44.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.167 -179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.443 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 20.3 m-85 -112.27 94.7 5.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.27 177.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.589 ' SG ' ' NH1' ' A' ' 33' ' ' ARG . 3.0 m 73.38 -69.12 0.2 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.725 178.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.493 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.6 mp0 -70.77 144.06 51.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.822 0.344 . . . . 1.0 110.993 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.52 179.869 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.779 0.323 . . . . 1.0 110.644 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -61.9 -25.85 67.81 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.515 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.4 m -51.75 -24.74 6.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.562 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 16.4 mmmt -97.26 134.82 40.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.189 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' NZ ' ' CB ' ' A' ' 6' ' ' LYS . 9.7 mtmp? -140.49 123.01 16.12 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.582 -0.525 . . . . 1.0 109.582 179.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.0 t -85.67 129.86 37.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 1.0 111.466 -179.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.4 ' CD1' ' CE ' ' A' ' 30' ' ' LYS . 36.3 m-85 -107.12 76.69 1.1 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.905 -0.589 . . . . 1.0 110.315 179.564 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.466 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 52.4 mp0 -62.84 -9.22 8.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.39 179.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.529 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 2.0 m-20 -91.32 18.86 6.56 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.099 -0.501 . . . . 1.0 109.908 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.833 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 71.3 m-85 -153.02 40.94 0.18 Allowed Pre-proline 0 CA--C 1.533 0.297 0 N-CA-C 112.94 0.718 . . . . 1.0 112.94 -179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.833 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.1 Cg_endo -87.47 117.06 1.19 Allowed 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.22 2.614 . . . . 1.0 109.636 175.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.7 t -134.49 143.02 39.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.535 -177.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.8 m -51.69 -33.95 36.4 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.236 -0.653 . . . . 1.0 109.236 178.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.414 ' H ' HG12 ' A' ' 13' ' ' VAL . 35.3 mtmm -59.44 -27.02 65.68 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.666 -0.697 . . . . 1.0 109.966 179.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 55.5 m -63.43 -24.95 68.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.18 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -44.25 -15.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.265 -0.425 . . . . 1.0 109.86 179.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.8 mt -101.47 103.49 14.39 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.824 -0.625 . . . . 1.0 110.289 179.24 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.8 -15.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.372 -0.376 . . . . 1.0 110.441 179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.662 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -80.32 -47.66 14.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 1.0 109.93 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -61.51 -38.52 87.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.015 -0.538 . . . . 1.0 110.346 178.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.61 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 29.6 m -53.76 -60.08 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.829 -0.623 . . . . 1.0 111.689 -178.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.662 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 9.8 p-10 -67.65 -42.05 82.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.387 -0.369 . . . . 1.0 111.603 -177.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.409 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.9 m-85 -65.26 -53.54 42.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.834 0.35 . . . . 1.0 110.839 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -62.21 -44.95 95.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.099 -0.501 . . . . 1.0 111.111 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.579 ' O ' ' N ' ' A' ' 30' ' ' LYS . 65.9 m -57.35 -44.06 84.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.452 -0.34 . . . . 1.0 110.347 179.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 47.0 mttm -56.34 -40.68 74.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.126 0.488 . . . . 1.0 110.009 178.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.8 mt -71.28 -39.47 71.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.65 -0.705 . . . . 1.0 111.185 179.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -98.57 -61.36 1.38 Allowed 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.115 0.783 . . . . 1.0 113.115 -177.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.636 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 39.5 mmtm -90.8 2.98 55.62 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.98 0.733 . . . . 1.0 112.98 -177.029 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.463 ' N ' ' O ' ' A' ' 26' ' ' CYS . 23.1 m80 53.93 21.12 2.68 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.841 -0.343 . . . . 1.0 111.211 179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.42 153.77 30.33 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 179.259 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.5 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 20.5 mmt85 -78.88 -41.22 30.35 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.802 -0.359 . . . . 1.0 111.371 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.638 ' O ' ' O ' ' A' ' 35' ' ' GLY . 4.5 t -128.87 -4.02 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.374 -0.376 . . . . 1.0 111.755 -178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.638 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 22.95 102.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.007 -0.837 . . . . 1.0 111.007 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -118.56 134.59 54.98 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.992 -0.373 . . . . 1.0 109.992 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.61 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 66.3 m -107.68 143.65 35.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 1.0 111.446 -179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.714 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.2 m-85 -132.66 163.92 27.87 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.011 -0.541 . . . . 1.0 110.285 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -90.08 130.37 36.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.393 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.0 p30 -99.76 -177.65 3.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.511 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -64.5 -30.72 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.539 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -79.92 10.19 4.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.582 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.3 mmm-85 61.2 17.38 8.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.299 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.442 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -97.14 151.34 19.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.241 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 26.4 mt -87.49 105.73 17.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.812 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -87.64 125.92 34.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.594 -179.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 59.6 m -82.57 106.19 14.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.742 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.714 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.7 mt -98.62 102.18 13.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.585 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 74.9 m -83.14 135.63 34.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.571 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.786 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.1 p30 -114.81 143.99 44.22 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.197 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' H ' ' A' ' 53' ' ' GLU . 10.7 m-85 -113.5 95.39 5.33 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.232 178.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 71.84 -29.86 0.2 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.266 -0.425 . . . . 1.0 111.767 177.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.478 ' H ' ' C ' ' A' ' 51' ' ' TYR . 79.0 mm-40 -126.31 121.59 33.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.455 -0.339 . . . . 1.0 111.006 -178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 C--N 1.331 -0.219 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.581 179.626 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 49.9 p30 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.809 0.337 . . . . 1.0 110.592 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -85.35 148.53 25.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.551 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.1 m -53.54 -27.79 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.615 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -90.21 128.04 36.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 1.0 111.158 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.3 mtmm -135.55 130.68 34.92 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.574 -0.528 . . . . 1.0 109.574 178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.0 p -71.66 135.51 27.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.209 -0.45 . . . . 1.0 111.427 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.585 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 11.0 m-85 -132.31 77.45 1.75 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.325 179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.559 ' O ' ' N ' ' A' ' 11' ' ' TYR . 38.9 mp0 -63.24 -142.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.428 178.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.561 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 39.6 m-20 45.67 13.25 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.851 179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.874 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 45.6 m-85 -153.86 36.1 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.295 0 N-CA-C 113.013 0.746 . . . . 1.0 113.013 -179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.874 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.7 Cg_endo -88.01 115.68 0.96 Allowed 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 123.271 2.647 . . . . 1.0 109.697 175.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.401 HG12 ' H ' ' A' ' 15' ' ' LYS . 3.4 t -136.02 145.93 30.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.654 -0.419 . . . . 1.0 111.501 -177.629 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 86.2 p -54.44 -33.17 59.01 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.246 -0.65 . . . . 1.0 109.246 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.444 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 9.4 mtmp? -59.66 -27.12 66.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.683 -0.69 . . . . 1.0 110.052 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.561 ' O ' ' N ' ' A' ' 18' ' ' LEU . 38.7 m -64.33 -24.69 67.74 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.038 -0.528 . . . . 1.0 110.184 179.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -43.33 -17.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 1.0 109.893 179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 86.3 mt -98.12 104.67 16.72 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.83 -0.623 . . . . 1.0 110.297 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.71 -17.24 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.422 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.667 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -79.44 -47.01 16.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 1.0 109.902 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 88.3 mm-40 -61.29 -38.62 87.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.982 -0.554 . . . . 1.0 110.343 178.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.585 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 36.1 m -54.44 -58.98 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.824 -0.625 . . . . 1.0 111.771 -178.534 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.667 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 7.2 p-10 -67.81 -43.46 79.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.606 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.474 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -64.08 -53.09 55.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.798 0.333 . . . . 1.0 110.882 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.4 m-20 -62.31 -45.15 94.51 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.045 -179.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 61.4 m -56.63 -45.46 81.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.801 0.334 . . . . 1.0 110.348 179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -56.21 -42.09 76.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.27 -0.423 . . . . 1.0 109.914 178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.2 mt -70.31 -37.75 74.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.187 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -97.28 -61.16 1.44 Allowed 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.627 ' NZ ' ' CD1' ' A' ' 11' ' ' TYR . 36.6 mmtm -94.66 1.58 55.55 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 112.95 0.722 . . . . 1.0 112.95 -176.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 23.4 m80 56.95 22.46 7.22 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.306 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.64 159.75 15.43 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.865 -0.421 . . . . 1.0 109.865 179.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 30.8 mmt180 -78.69 -45.79 20.55 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.758 -0.377 . . . . 1.0 111.307 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.627 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -130.68 -2.94 4.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.687 -178.247 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.627 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 34.02 103.79 0.01 OUTLIER Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -113.73 127.02 55.86 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.096 -0.335 . . . . 1.0 110.096 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 45.4 m -103.66 139.11 39.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.269 -0.423 . . . . 1.0 111.443 -179.478 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.673 ' CD1' HD12 ' A' ' 48' ' ' ILE . 84.7 m-85 -127.59 161.87 27.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.01 -0.541 . . . . 1.0 110.277 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.404 ' CD1' ' N ' ' A' ' 39' ' ' TYR . 35.9 m-85 -92.4 130.87 37.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.292 -0.413 . . . . 1.0 110.447 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' OD1' ' C ' ' A' ' 40' ' ' ASP . 51.1 p30 -99.05 -177.86 3.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.548 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -64.42 -30.59 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.577 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.7 mttp -79.4 9.4 4.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.638 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.66 17.27 8.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.392 -179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -95.19 150.81 19.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.068 -0.515 . . . . 1.0 110.19 179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 39.6 mt -86.96 106.01 17.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.651 -179.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 49.7 mm-40 -88.18 123.98 33.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.637 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 38.9 m -82.92 109.59 17.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.737 -179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.673 HD12 ' CD1' ' A' ' 38' ' ' PHE . 20.7 mt -106.65 108.1 24.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.595 179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.585 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 59.6 m -70.94 123.47 22.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.564 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.69 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.8 p30 -103.41 147.29 27.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.171 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 8.0 m-85 -110.37 96.85 6.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.233 178.422 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 76.38 -64.19 0.35 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.344 -0.389 . . . . 1.0 111.695 178.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -79.77 114.54 18.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.795 0.331 . . . . 1.0 110.949 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.8 p90 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.547 179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 52.5 p30 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.777 0.322 . . . . 1.0 110.598 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -87.16 146.37 26.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.544 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.9 m -56.69 -26.53 56.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.589 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -91.75 131.54 37.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.201 -179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.633 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -139.52 135.27 33.28 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.528 -0.545 . . . . 1.0 109.528 179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 14.9 p -86.56 137.3 21.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.441 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 36.4 m-85 -126.02 82.17 2.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.974 -0.557 . . . . 1.0 110.284 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.475 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 58.1 mp0 -60.72 172.09 1.01 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.392 178.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.55 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.06 -0.99 3.19 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.043 -0.526 . . . . 1.0 109.918 -179.873 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.847 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 31.8 m-85 -126.4 3.71 0.05 OUTLIER Pre-proline 0 CA--C 1.533 0.299 0 N-CA-C 113.019 0.748 . . . . 1.0 113.019 179.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.847 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.2 Cg_endo -79.45 119.1 4.04 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.295 2.663 . . . . 1.0 109.7 178.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.416 ' O ' ' N ' ' A' ' 16' ' ' CYS . 7.1 t -135.84 149.57 28.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.576 -0.449 . . . . 1.0 111.464 -178.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.0 t -50.11 -34.03 20.68 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.271 -0.64 . . . . 1.0 109.271 178.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.424 ' CB ' ' NZ ' ' A' ' 15' ' ' LYS . 9.5 mtmp? -60.46 -27.25 67.4 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.582 -0.736 . . . . 1.0 110.026 179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 18' ' ' LEU . 49.1 m -65.6 -22.19 66.65 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.957 -0.565 . . . . 1.0 110.131 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -43.35 -16.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.042 0.449 . . . . 1.0 109.911 179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.57 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -97.64 102.6 14.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.785 -0.643 . . . . 1.0 110.313 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.16 -15.36 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.463 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -80.88 -47.12 14.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.957 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 66.5 mm-40 -62.34 -39.08 91.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.986 -0.552 . . . . 1.0 110.311 179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.528 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 71.3 m -54.72 -59.21 5.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.852 -0.613 . . . . 1.0 111.751 -178.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.4 p-10 -67.46 -42.2 83.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.366 -0.379 . . . . 1.0 111.563 -177.166 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.8 m-85 -65.91 -52.8 46.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.856 0.36 . . . . 1.0 110.865 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -62.56 -45.63 92.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.075 -179.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.556 ' O ' ' N ' ' A' ' 30' ' ' LYS . 81.4 m -58.14 -44.4 87.84 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.917 -0.313 . . . . 1.0 110.329 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.437 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -54.89 -42.62 72.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.014 0.435 . . . . 1.0 109.912 178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.1 mt -71.38 -33.19 69.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.7 -0.682 . . . . 1.0 111.182 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -97.17 -62.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 113.121 0.786 . . . . 1.0 113.121 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.62 ' NZ ' ' CZ ' ' A' ' 11' ' ' TYR . 43.7 mmtm -101.84 11.39 38.74 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.956 0.724 . . . . 1.0 112.956 -176.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 51.07 30.79 5.77 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.847 -0.341 . . . . 1.0 111.209 178.657 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -67.71 149.93 49.34 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.809 -0.441 . . . . 1.0 109.809 179.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.514 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 59.5 mmt-85 -75.07 -42.26 57.23 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.371 -178.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.682 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -129.55 -6.33 4.68 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.32 -0.4 . . . . 1.0 111.714 -178.207 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.682 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 26.43 105.98 0.0 OUTLIER Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.988 -0.845 . . . . 1.0 110.988 -179.508 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -126.09 141.48 51.93 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.994 -0.373 . . . . 1.0 109.994 -178.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.482 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 34.2 m -110.03 141.58 42.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.032 0.444 . . . . 1.0 111.367 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.582 ' CD1' HD12 ' A' ' 48' ' ' ILE . 79.3 m-85 -127.47 162.94 25.2 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.253 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.446 ' CE2' HD21 ' A' ' 45' ' ' LEU . 40.2 m-85 -93.44 125.45 38.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.446 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.446 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 53.9 p-10 -101.82 -169.66 1.71 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.565 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 48.5 mp0 -67.8 -30.9 70.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.501 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -72.67 3.02 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.609 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.4 mmm-85 60.92 19.68 10.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.266 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.708 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -107.46 156.08 19.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.227 179.805 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.498 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 23.6 mt -83.32 106.86 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.693 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.708 ' NE2' HD21 ' A' ' 44' ' ' ASN . 80.2 mm-40 -85.89 123.31 31.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.605 179.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.7 m -79.27 105.45 10.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.711 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.582 HD12 ' CD1' ' A' ' 38' ' ' PHE . 19.2 mt -106.43 102.49 13.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.599 179.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 78.7 m -75.49 128.02 34.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.571 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.717 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.2 p30 -103.14 146.74 27.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.121 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.633 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.2 m-85 -111.38 96.0 5.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.186 178.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.514 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 m 77.86 -65.17 0.27 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.339 -0.391 . . . . 1.0 111.769 178.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -79.66 125.34 29.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.809 0.338 . . . . 1.0 111.02 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 54' ' ' TYR . 28.7 p90 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.574 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 53.9 p30 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.785 0.326 . . . . 1.0 110.568 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -57.87 -36.05 71.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.568 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.485 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 4.9 m -80.33 14.93 1.75 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.55 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.472 ' NZ ' ' C ' ' A' ' 54' ' ' TYR . 68.4 mmtt -130.56 138.6 50.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 1.0 111.21 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.642 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.6 mtmm -147.84 122.38 9.78 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.514 -0.55 . . . . 1.0 109.514 178.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 9.3 p -84.33 137.0 21.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.107 -0.497 . . . . 1.0 111.418 -179.478 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -117.03 84.25 2.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.325 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.458 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 72.0 mm-40 -65.02 165.21 11.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.405 179.35 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.18 1.64 3.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.075 -0.511 . . . . 1.0 109.868 179.471 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.794 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 29.8 m-85 -115.44 -17.66 0.1 Allowed Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 113.023 0.749 . . . . 1.0 113.023 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.794 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 87.4 Cg_exo -44.6 115.7 0.9 Allowed 'Trans proline' 0 C--N 1.309 -1.539 0 C-N-CA 123.203 2.602 . . . . 1.0 109.72 179.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 15' ' ' LYS . 10.9 p -137.36 149.71 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.559 -0.456 . . . . 1.0 111.492 -178.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 84.3 p -55.02 -34.63 63.66 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.217 -0.66 . . . . 1.0 109.217 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.739 ' H ' HG22 ' A' ' 13' ' ' VAL . 49.7 mtmt -58.71 -27.59 65.02 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.71 -0.677 . . . . 1.0 110.062 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.546 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -69.64 -21.24 63.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.998 -0.546 . . . . 1.0 110.246 -179.633 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.1 pt20 -45.44 -14.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.83 178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.546 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -105.78 107.0 17.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.264 179.404 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.34 -17.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.479 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -80.3 -45.27 18.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.976 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.51 -40.49 96.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.925 -0.58 . . . . 1.0 110.348 178.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 7.1 m -52.17 -59.38 4.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.756 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.2 p-10 -67.19 -44.73 78.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 1.0 111.602 -178.393 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -61.71 -52.96 62.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.842 0.353 . . . . 1.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -63.64 -44.11 94.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.086 179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.635 ' O ' ' N ' ' A' ' 30' ' ' LYS . 93.9 m -64.41 -42.38 96.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 1.0 110.327 179.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.9 mtpp -52.83 -46.05 67.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 1.0 109.933 178.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 52.5 mt -71.24 -35.16 71.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.71 -0.677 . . . . 1.0 111.226 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 84.3 m-20 -97.38 -61.58 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.081 0.771 . . . . 1.0 113.081 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.648 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 39.5 mmtm -96.86 -0.8 47.21 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.967 0.728 . . . . 1.0 112.967 -176.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.521 ' N ' ' O ' ' A' ' 26' ' ' CYS . 27.5 m-70 61.78 35.68 16.6 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.773 -0.371 . . . . 1.0 111.251 178.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.53 153.5 43.64 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.87 -0.419 . . . . 1.0 109.87 179.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.415 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 60.2 mmt-85 -84.73 -50.57 7.5 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.746 -0.382 . . . . 1.0 111.334 -178.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.562 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.4 m -127.89 -1.43 5.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.72 -177.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.562 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 55.32 137.9 0.0 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.075 -0.81 . . . . 1.0 111.075 -179.694 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' CD ' ' O ' ' A' ' 35' ' ' GLY . 70.6 mm-40 -143.91 106.55 4.44 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 110.027 -0.36 . . . . 1.0 110.027 179.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.557 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 8.4 m -108.88 132.71 53.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 1.0 111.374 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.496 ' CD2' HD12 ' A' ' 48' ' ' ILE . 55.5 m-85 -127.93 161.67 28.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.901 -0.591 . . . . 1.0 110.258 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -94.13 131.94 39.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.42 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.459 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 51.1 p30 -101.73 -178.64 3.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.533 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -65.53 -29.23 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.498 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.416 ' HZ2' ' HB3' ' A' ' 42' ' ' LYS . 13.9 mtpp -80.03 9.03 5.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.59 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.9 mtm180 62.65 13.72 6.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.289 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.459 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -91.96 150.69 20.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.195 179.328 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.2 mt -86.58 106.63 17.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.747 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 93.3 mm-40 -77.4 113.68 15.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.622 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.4 m -80.83 101.35 9.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.792 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.496 HD12 ' CD2' ' A' ' 38' ' ' PHE . 17.3 mt -107.06 103.95 16.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.573 -179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.4 m -72.79 130.27 40.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.52 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.747 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.1 p30 -108.99 145.51 35.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 1.0 111.222 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.642 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.9 m-85 -112.54 94.61 5.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.224 178.313 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.435 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.0 m 72.93 -71.35 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.72 178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.485 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 50.6 mp0 -71.93 115.64 11.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.798 0.332 . . . . 1.0 110.996 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.472 ' C ' ' NZ ' ' A' ' 5' ' ' LYS . 92.4 m-85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.57 179.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 50.0 p30 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.8 0.334 . . . . 1.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.481 ' C ' ' H ' ' A' ' 5' ' ' LYS . 32.2 mmtm -80.7 161.89 24.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.54 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.425 ' SG ' ' C ' ' A' ' 3' ' ' LYS . 2.3 m 70.48 -11.32 0.62 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.551 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.481 ' H ' ' C ' ' A' ' 3' ' ' LYS . 41.3 mmtm -99.01 135.57 40.23 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 1.0 111.177 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 mtmt -149.21 121.9 8.64 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 178.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.412 HG12 ' H ' ' A' ' 7' ' ' VAL . 4.1 p -84.04 141.02 15.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.372 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -114.12 89.41 3.08 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.322 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 51.9 mp0 -71.65 162.12 29.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.425 178.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.544 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 70.9 1.52 3.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.145 -0.479 . . . . 1.0 109.822 179.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.796 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.5 m-85 -111.81 -17.18 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 112.981 0.734 . . . . 1.0 112.981 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.796 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 79.1 Cg_exo -46.7 126.33 10.59 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 123.257 2.638 . . . . 1.0 109.591 179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.795 HG23 ' O ' ' A' ' 11' ' ' TYR . 5.6 t -133.0 141.45 44.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 C-N-CA 120.616 -0.434 . . . . 1.0 111.485 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 17.5 t -51.29 -30.48 18.14 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.215 -0.661 . . . . 1.0 109.215 178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' H ' HG12 ' A' ' 13' ' ' VAL . 68.8 mttm -64.67 -26.24 68.3 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.038 179.164 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' SG ' ' A' ' 22' ' ' CYS . 75.1 m -64.14 -24.0 67.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.237 -179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -44.89 -14.48 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.202 -0.454 . . . . 1.0 109.929 179.054 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.0 mt -104.25 105.3 15.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.821 -0.627 . . . . 1.0 110.299 178.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.38 -16.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 1.0 110.43 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.637 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -80.49 -49.77 10.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.915 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 -60.42 -38.2 83.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.387 179.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.655 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 78.5 m -54.22 -60.58 3.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.778 -0.646 . . . . 1.0 111.747 -178.246 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.637 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.29 -42.32 83.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.6 -177.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -64.93 -54.07 36.4 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 1.0 110.805 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.5 m-20 -62.3 -43.82 97.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.166 -0.47 . . . . 1.0 111.105 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.558 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.8 m -59.61 -43.21 93.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.216 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -56.48 -43.12 79.33 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.011 0.434 . . . . 1.0 109.918 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 90.9 mt -70.98 -43.4 68.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 1.0 111.199 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -98.45 -59.92 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.095 0.776 . . . . 1.0 113.095 -177.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' N ' ' O ' ' A' ' 26' ' ' CYS . 49.4 mttp -83.34 0.73 44.58 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 113.016 0.747 . . . . 1.0 113.016 -177.096 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' N ' ' O ' ' A' ' 26' ' ' CYS . 25.1 m80 55.8 16.3 1.98 Allowed 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.795 -0.362 . . . . 1.0 111.28 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.448 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -66.74 154.31 41.06 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 109.867 -0.42 . . . . 1.0 109.867 179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 21.2 mmt85 -81.27 -42.27 20.93 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.742 -0.383 . . . . 1.0 111.323 -179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -127.43 -7.47 5.79 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.434 -0.348 . . . . 1.0 111.727 -178.387 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.06 101.55 0.01 OUTLIER Glycine 0 CA--C 1.526 0.749 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 -179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.4 mm-40 -112.62 128.53 56.4 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.016 -0.365 . . . . 1.0 110.016 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.655 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 20.0 m -108.59 140.4 42.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.005 0.431 . . . . 1.0 111.406 -179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.645 ' CD1' HD12 ' A' ' 48' ' ' ILE . 81.7 m-85 -130.19 162.8 28.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.302 179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 85.5 m-85 -92.06 130.74 37.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.451 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 54.1 p30 -103.64 -175.58 2.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.588 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.7 -30.3 70.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.522 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 40.2 mtmt -79.37 8.95 5.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.678 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.58 17.23 8.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.309 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.408 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -96.9 151.78 19.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.24 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.433 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.3 mt -86.42 103.79 15.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.335 -0.393 . . . . 1.0 110.641 -179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -78.39 113.17 16.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.581 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.4 m -77.8 100.88 6.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.795 -179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.645 HD12 ' CD1' ' A' ' 38' ' ' PHE . 25.3 mt -98.16 101.33 12.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.594 179.209 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.448 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 76.7 m -79.33 135.79 36.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.523 -179.08 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.754 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.8 p30 -111.99 145.13 40.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.192 -0.458 . . . . 1.0 111.201 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.468 ' C ' ' H ' ' A' ' 53' ' ' GLU . 15.1 m-85 -113.81 95.55 5.38 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.181 178.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.442 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.1 m 73.45 -26.99 0.19 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.679 177.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' A' ' 51' ' ' TYR . 78.0 mm-40 -130.84 115.36 16.48 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.478 -0.328 . . . . 1.0 110.948 -178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.9 p90 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.534 179.768 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' OD1' ' N ' ' A' ' 3' ' ' LYS . 53.7 p30 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.769 0.319 . . . . 1.0 110.517 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' N ' ' OD1' ' A' ' 2' ' ' ASP . 64.8 mttp -58.22 -34.39 70.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.571 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.9 m -55.53 -23.62 27.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.541 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -96.82 134.23 40.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 1.0 111.216 -179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.641 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.5 mtmm -138.84 123.38 18.45 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.592 -0.522 . . . . 1.0 109.592 178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.5 p -78.92 139.31 18.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.091 0.472 . . . . 1.0 111.423 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.49 ' HB3' ' HZ3' ' A' ' 30' ' ' LYS . 9.1 m-85 -115.17 87.46 2.66 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.907 -0.588 . . . . 1.0 110.345 179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.422 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 78.3 mm-40 -72.65 158.94 34.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.463 179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 72.47 5.54 5.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.086 -0.506 . . . . 1.0 109.852 179.82 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.897 ' O ' HG23 ' A' ' 13' ' ' VAL . 13.2 m-85 -116.74 -17.1 0.1 OUTLIER Pre-proline 0 CA--C 1.533 0.308 0 N-CA-C 112.987 0.736 . . . . 1.0 112.987 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.793 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 76.1 Cg_exo -46.77 122.43 5.99 Favored 'Trans proline' 0 C--N 1.309 -1.547 0 C-N-CA 123.27 2.647 . . . . 1.0 109.632 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.897 HG23 ' O ' ' A' ' 11' ' ' TYR . 11.6 t -132.51 142.76 41.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.506 179.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.7 m -51.47 -32.94 29.02 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.25 -0.648 . . . . 1.0 109.25 178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' H ' HG12 ' A' ' 13' ' ' VAL . 98.3 mttt -60.67 -26.53 67.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.648 -0.706 . . . . 1.0 109.928 179.066 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.55 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.5 m -64.51 -25.16 67.87 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.09 -0.504 . . . . 1.0 110.252 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -44.25 -16.24 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.844 -0.428 . . . . 1.0 109.844 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.55 ' N ' ' O ' ' A' ' 16' ' ' CYS . 11.7 mt -101.97 104.23 14.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.899 -0.591 . . . . 1.0 110.322 179.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.0 -18.74 0.05 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.385 -0.37 . . . . 1.0 110.442 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.2 m-20 -79.19 -48.96 13.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 1.0 109.934 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -60.31 -38.17 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.407 178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.54 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 92.1 m -53.3 -60.86 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.756 -0.657 . . . . 1.0 111.762 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.7 p-10 -67.95 -44.3 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.314 -0.403 . . . . 1.0 111.621 -177.419 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.5 m-85 -62.11 -52.56 63.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 1.0 110.809 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 46.3 m-20 -64.05 -43.94 93.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.107 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.608 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.1 m -60.9 -42.91 98.93 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.843 -0.343 . . . . 1.0 110.314 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 44.4 mttm -56.78 -43.77 81.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.02 0.438 . . . . 1.0 109.963 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 59.5 mt -69.46 -42.97 74.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.729 -0.669 . . . . 1.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -98.65 -57.49 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 113.055 0.761 . . . . 1.0 113.055 -177.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.608 ' N ' ' O ' ' A' ' 26' ' ' CYS . 84.6 mttt -87.83 -1.7 58.14 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.97 0.73 . . . . 1.0 112.97 -176.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' N ' ' O ' ' A' ' 26' ' ' CYS . 21.8 m80 55.92 22.5 5.76 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.848 -0.341 . . . . 1.0 111.266 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.425 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -67.38 155.74 38.21 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.887 -0.412 . . . . 1.0 109.887 179.228 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.541 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 23.4 mmt85 -81.14 -42.17 21.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.72 -0.392 . . . . 1.0 111.397 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.605 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -130.15 -4.06 4.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.335 -0.393 . . . . 1.0 111.727 -178.631 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.605 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 30.24 100.72 0.01 OUTLIER Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.031 -0.828 . . . . 1.0 111.031 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.9 mm-40 -113.69 128.47 56.44 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 110.041 -0.355 . . . . 1.0 110.041 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 14.0 m -107.21 140.91 39.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 1.0 111.378 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.519 ' CD1' HD12 ' A' ' 48' ' ' ILE . 83.3 m-85 -127.24 160.6 30.79 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.874 -0.603 . . . . 1.0 110.32 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.471 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 16.6 m-85 -97.89 128.16 44.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.299 -0.409 . . . . 1.0 110.45 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -103.97 -174.42 2.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.538 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -66.44 -29.75 69.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.432 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.9 mtpm? -76.25 6.79 4.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.559 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 62.7 mtm180 60.3 14.02 4.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.438 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -94.01 150.1 20.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.159 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 35.1 mt -87.04 104.08 15.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.71 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' OE1' ' OE2' ' A' ' 9' ' ' GLU . 94.4 mm-40 -80.6 112.94 18.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.582 -179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.518 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 94.3 m -80.25 105.77 11.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.759 -179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.519 HD12 ' CD1' ' A' ' 38' ' ' PHE . 60.2 mt -105.45 101.9 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.585 179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.441 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 65.7 m -70.63 130.49 41.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.532 179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.815 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 6.3 p30 -109.64 141.49 42.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 1.0 111.227 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.641 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 10.9 m-85 -110.37 96.13 6.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.243 177.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.469 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.2 m 75.92 -69.89 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.72 179.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -67.46 135.39 53.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.779 0.323 . . . . 1.0 110.955 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.531 179.836 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 48.7 p30 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.821 0.343 . . . . 1.0 110.533 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp 60.02 41.87 16.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.539 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 12.9 m -62.53 -25.44 68.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.578 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -93.03 134.65 34.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.192 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 34.8 mtmm -145.71 127.24 15.09 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.599 -0.519 . . . . 1.0 109.599 179.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 12.5 p -86.52 139.03 17.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.175 -0.466 . . . . 1.0 111.433 -179.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 56.0 m-85 -126.11 81.81 2.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.853 -0.612 . . . . 1.0 110.31 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.492 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 57.5 mp0 -60.87 169.3 1.97 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.465 178.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.549 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.7 OUTLIER 64.26 42.97 5.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.055 -0.52 . . . . 1.0 109.909 -179.858 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.911 ' H ' ' CD ' ' A' ' 12' ' ' PRO . 6.0 m-85 -154.52 -36.34 0.0 OUTLIER Pre-proline 0 CA--C 1.533 0.312 0 N-CA-C 112.955 0.724 . . . . 1.0 112.955 -179.383 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.911 ' CD ' ' H ' ' A' ' 11' ' ' TYR . 28.1 Cg_exo -61.33 142.13 94.92 Favored 'Trans proline' 0 C--N 1.307 -1.611 0 C-N-CA 123.224 2.616 . . . . 1.0 109.64 -179.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' O ' ' N ' ' A' ' 16' ' ' CYS . 23.1 t -136.3 159.81 38.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.527 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.496 ' N ' HG12 ' A' ' 13' ' ' VAL . 20.0 m -47.07 -28.16 1.62 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.222 -0.658 . . . . 1.0 109.222 178.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -72.21 -26.69 62.14 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 1.0 110.001 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.606 ' C ' ' H ' ' A' ' 18' ' ' LEU . 92.3 m -66.63 -18.54 65.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.024 -0.535 . . . . 1.0 110.241 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.425 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -48.95 -7.23 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 1.0 109.948 178.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.606 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.4 mt -108.94 112.3 24.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.793 -0.639 . . . . 1.0 110.344 179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.85 -15.44 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.476 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.639 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.1 m-20 -81.24 -48.08 12.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 1.0 109.982 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 94.8 mm-40 -62.66 -37.0 84.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.324 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.579 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 6.0 m -54.77 -59.66 4.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.811 -0.631 . . . . 1.0 111.71 -178.607 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.639 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.0 p-10 -67.45 -41.43 84.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.622 -177.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.443 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.6 m-85 -66.14 -51.66 55.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 1.0 110.865 179.812 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -63.18 -44.56 95.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 1.0 111.089 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.555 ' O ' ' N ' ' A' ' 30' ' ' LYS . 99.1 m -59.87 -41.57 91.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.822 0.344 . . . . 1.0 110.348 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.5 mtpm? -57.73 -42.88 84.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.049 0.452 . . . . 1.0 109.927 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 63.8 mt -71.44 -31.99 67.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.737 -0.665 . . . . 1.0 111.202 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -97.31 -61.94 1.33 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 113.112 0.782 . . . . 1.0 113.112 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.555 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.9 mmtt -103.68 14.94 30.02 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 48.66 28.43 1.81 Allowed 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.797 -0.361 . . . . 1.0 111.29 178.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.95 154.89 38.13 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.808 -0.442 . . . . 1.0 109.808 178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.504 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 58.9 mmt-85 -76.9 -48.19 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.79 -0.364 . . . . 1.0 111.344 -178.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.672 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.2 m -128.63 -3.52 5.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.428 -0.351 . . . . 1.0 111.779 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.672 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 27.31 104.36 0.0 OUTLIER Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.024 -0.831 . . . . 1.0 111.024 179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 52.0 mp0 -113.57 130.58 56.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.999 -0.371 . . . . 1.0 109.999 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 52.4 m -106.1 133.78 50.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.445 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.554 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.1 m-85 -125.68 161.84 26.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.989 -0.551 . . . . 1.0 110.319 179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.455 ' CD2' ' CD2' ' A' ' 45' ' ' LEU . 10.7 m-85 -97.0 127.87 43.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.452 179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.09 -177.1 3.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.555 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -64.49 -29.59 70.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.501 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.7 mmtm -71.39 3.81 3.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.9 mmm180 62.99 18.15 10.66 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.363 -179.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.747 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.4 OUTLIER -107.68 154.16 21.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.215 179.411 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.566 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 8.4 mt -86.44 120.31 27.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.667 -179.416 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.747 ' NE2' HD21 ' A' ' 44' ' ' ASN . 73.1 mm-40 -100.84 126.58 47.44 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.609 178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.492 ' H ' ' HG3' ' A' ' 12' ' ' PRO . 61.4 m -86.34 111.15 20.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.716 -179.643 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.554 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.4 mt -105.34 101.42 12.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.616 179.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 85.7 m -76.95 132.03 38.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.485 179.45 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.75 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.1 p30 -114.63 145.15 42.34 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.47 . . . . 1.0 111.205 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.626 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.7 m-85 -111.39 96.56 6.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.279 177.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.504 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.4 m 78.77 -70.56 0.11 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.361 -0.381 . . . . 1.0 111.782 178.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.2 mm-40 -73.46 126.1 29.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.74 0.305 . . . . 1.0 110.967 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.507 179.871 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 37.9 p30 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.759 0.314 . . . . 1.0 110.581 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' C ' ' N ' ' A' ' 5' ' ' LYS . 68.9 mttm -57.63 -32.26 67.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.541 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.7 m -47.32 -17.95 0.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' N ' ' C ' ' A' ' 3' ' ' LYS . 64.6 mmtt -98.78 129.05 45.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.198 -0.456 . . . . 1.0 111.175 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -139.82 116.63 10.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.57 -0.53 . . . . 1.0 109.57 179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.7 t -84.11 130.71 35.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.417 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -114.22 84.33 2.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.933 -0.576 . . . . 1.0 110.315 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.552 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 42.4 mp0 -69.03 167.85 15.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.407 178.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.507 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.5 OUTLIER 66.19 -2.62 0.94 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.073 -0.512 . . . . 1.0 109.877 179.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.784 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 8.6 m-85 -108.2 -19.65 0.15 Allowed Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.969 0.729 . . . . 1.0 112.969 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.784 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 72.3 Cg_endo -78.8 140.62 16.48 Favored 'Trans proline' 0 C--N 1.308 -1.559 0 C-N-CA 123.222 2.615 . . . . 1.0 109.668 -179.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.559 HG12 ' N ' ' A' ' 14' ' ' SER . 40.5 t -135.75 162.23 37.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.652 -0.419 . . . . 1.0 111.503 -179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.559 ' N ' HG12 ' A' ' 13' ' ' VAL . 33.7 m -46.9 -27.17 1.17 Allowed 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.175 -0.676 . . . . 1.0 109.175 178.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -72.11 -27.09 62.41 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.97 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.613 ' C ' ' H ' ' A' ' 18' ' ' LEU . 90.4 m -66.21 -19.53 65.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.005 -0.543 . . . . 1.0 110.234 -179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.5 pt20 -47.8 -8.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 1.0 109.852 178.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' H ' ' C ' ' A' ' 16' ' ' CYS . 70.1 mt -106.66 108.16 19.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.268 179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.08 -12.74 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.345 -0.388 . . . . 1.0 110.45 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.649 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.7 m-20 -82.73 -47.85 11.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.179 -0.464 . . . . 1.0 109.901 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -63.03 -36.76 84.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.979 -0.555 . . . . 1.0 110.324 179.18 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.55 ' SG ' ' O ' ' A' ' 16' ' ' CYS . 3.9 m -57.11 -59.29 5.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.789 -0.641 . . . . 1.0 111.812 -178.23 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.649 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.2 p-10 -66.81 -42.0 86.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.34 -0.391 . . . . 1.0 111.615 -177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -66.07 -52.49 48.43 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.882 -0.327 . . . . 1.0 110.773 179.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -62.98 -41.71 99.63 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.109 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 30' ' ' LYS . 70.8 m -62.81 -42.37 99.69 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.346 179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -56.2 -42.99 78.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.091 0.472 . . . . 1.0 109.998 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.3 mt -72.44 -34.17 67.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.164 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 86.6 m-20 -98.76 -62.57 1.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 113.058 0.762 . . . . 1.0 113.058 -177.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.567 ' N ' ' O ' ' A' ' 26' ' ' CYS . 58.1 mmtt -96.5 6.14 49.35 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.989 0.737 . . . . 1.0 112.989 -176.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 26' ' ' CYS . 73.0 m-70 53.55 30.45 10.74 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.839 -0.344 . . . . 1.0 111.19 178.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.66 149.51 43.8 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.818 -0.438 . . . . 1.0 109.818 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.592 ' NH2' ' SG ' ' A' ' 52' ' ' CYS . 78.0 mtt180 -76.34 -42.63 44.29 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.716 -0.394 . . . . 1.0 111.405 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.2 t -125.29 -6.82 7.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.29 -0.414 . . . . 1.0 111.715 -178.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 19.35 104.04 0.0 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.026 -0.829 . . . . 1.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -123.58 140.08 53.36 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.954 -0.387 . . . . 1.0 109.954 -179.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 91.9 m -109.12 132.09 54.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 1.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.457 ' CD1' HD12 ' A' ' 48' ' ' ILE . 56.1 m-85 -123.8 163.91 20.24 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.565 . . . . 1.0 110.28 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.501 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 13.7 m-85 -92.64 122.5 35.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.444 179.418 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -97.71 -174.59 2.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.5 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 45.5 mp0 -64.74 -28.69 69.76 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.491 -179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 26.0 mmtm -70.33 1.68 4.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.667 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 61.0 mtm180 62.46 16.06 8.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.318 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.697 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.6 OUTLIER -113.29 155.48 25.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.189 179.377 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 11.1 mt -79.33 124.7 28.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.728 -179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.697 ' NE2' HD21 ' A' ' 44' ' ' ASN . 69.8 mm-40 -107.63 125.8 51.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.638 178.131 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.1 m -82.77 106.48 14.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.799 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.457 HD12 ' CD1' ' A' ' 38' ' ' PHE . 17.5 mt -100.28 101.6 12.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.642 179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 73.0 m -78.75 131.07 36.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.529 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.863 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 4.0 p30 -111.63 139.15 47.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 1.0 111.192 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.47 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 56.5 m-85 -113.69 96.43 5.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.208 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.592 ' SG ' ' NH2' ' A' ' 33' ' ' ARG . 3.3 m 76.5 -37.62 0.3 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.746 176.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -114.06 121.86 45.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.832 0.348 . . . . 1.0 110.97 -178.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.0 p90 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.519 179.8 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.819 0.342 . . . . 1.0 110.603 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -84.85 148.85 26.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.524 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.3 m -55.66 -25.29 38.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.588 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -92.6 131.77 37.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.181 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.638 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.3 mtmm -139.74 132.12 28.44 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.523 -0.547 . . . . 1.0 109.523 178.829 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.0 t -81.74 135.09 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.507 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 25.1 m-85 -125.24 79.93 1.84 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.295 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 54.8 mp0 -60.8 172.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.335 178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.554 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.96 -3.76 2.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.037 -0.529 . . . . 1.0 109.892 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.803 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 33.4 m-85 -124.24 9.3 0.06 OUTLIER Pre-proline 0 CA--C 1.533 0.319 0 N-CA-C 113.034 0.753 . . . . 1.0 113.034 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.803 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 90.3 Cg_endo -82.39 119.16 3.01 Favored 'Trans proline' 0 C--N 1.308 -1.572 0 C-N-CA 123.157 2.571 . . . . 1.0 109.681 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.2 t -135.89 152.62 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.666 -0.414 . . . . 1.0 111.544 -177.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -50.86 -32.52 20.64 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.247 -0.649 . . . . 1.0 109.247 178.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 43.4 mtpt -60.35 -27.68 67.56 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.711 -0.677 . . . . 1.0 109.972 178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.551 ' O ' ' N ' ' A' ' 18' ' ' LEU . 61.1 m -64.86 -24.76 67.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.125 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -44.01 -16.42 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.975 0.417 . . . . 1.0 109.905 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.2 mt -103.77 104.94 15.01 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.851 -0.613 . . . . 1.0 110.3 179.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.06 -16.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.407 . . . . 1.0 110.46 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.652 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.67 -46.76 16.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 109.939 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -61.84 -40.55 95.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.309 179.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.666 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 33.4 m -52.09 -60.22 3.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.801 -0.636 . . . . 1.0 111.803 -178.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.652 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 10.9 p-10 -67.83 -43.48 79.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.415 -0.357 . . . . 1.0 111.674 -177.157 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.425 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -63.98 -51.91 62.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.817 0.341 . . . . 1.0 110.893 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -64.29 -47.39 79.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.064 -179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 87.8 m -59.2 -44.12 92.23 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.901 -0.32 . . . . 1.0 110.337 179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.7 mtpm? -53.61 -43.44 68.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.044 0.45 . . . . 1.0 109.967 178.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.0 mt -71.34 -34.76 70.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.693 -0.685 . . . . 1.0 111.256 179.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -96.7 -62.13 1.31 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 113.175 0.805 . . . . 1.0 113.175 -177.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.614 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 65.4 mmtt -98.74 3.48 47.61 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.961 0.726 . . . . 1.0 112.961 -176.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 51.7 m-70 58.42 29.32 18.08 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.832 -0.347 . . . . 1.0 111.235 178.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.69 153.58 41.3 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.4 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 60.8 mmt-85 -80.55 -45.64 17.09 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.774 -0.37 . . . . 1.0 111.289 -178.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.614 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.3 OUTLIER -129.31 -4.85 4.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.784 -177.806 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.614 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 38.39 104.46 0.01 OUTLIER Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.029 -0.828 . . . . 1.0 111.029 -179.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -112.24 122.07 46.68 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.001 -0.37 . . . . 1.0 110.001 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.666 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 34.9 m -107.28 138.62 43.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 1.0 111.39 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 48' ' ' ILE . 73.1 m-85 -130.31 163.98 25.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.301 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -91.38 133.72 35.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.41 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 53.1 p30 -104.71 -177.68 3.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.55 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -65.93 -30.37 70.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.8 mtpm? -80.46 11.47 3.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.583 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 57.0 mtm180 61.3 13.24 4.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.305 -179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.6 t30 -92.93 146.82 23.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 1.0 110.25 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 27.0 mt -84.07 105.67 15.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.701 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 89.6 mm-40 -80.34 120.43 24.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.6 -179.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 97.5 m -81.02 105.94 12.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.771 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 38' ' ' PHE . 19.1 mt -105.4 103.0 14.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.618 179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 84.4 m -71.43 124.91 25.67 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.498 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.714 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.3 p30 -103.44 146.42 28.53 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.194 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.638 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 9.0 m-85 -110.88 96.44 6.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.195 178.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.47 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.14 -63.63 0.38 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.733 178.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -79.56 122.63 26.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 1.0 110.941 -179.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 54' ' ' TYR . 26.8 p90 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.557 179.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.788 0.328 . . . . 1.0 110.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -58.93 -39.67 82.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.622 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.9 m -66.65 -27.64 67.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.598 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.546 ' HZ3' ' HA ' ' A' ' 54' ' ' TYR . 67.2 mmtt -89.96 130.85 36.11 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.167 -0.469 . . . . 1.0 111.162 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -141.19 130.47 23.59 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 178.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.4 p -93.45 138.42 20.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.098 0.475 . . . . 1.0 111.407 -179.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -120.44 89.89 3.22 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.281 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 58.4 mp0 -67.04 171.76 5.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.425 179.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.556 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.14 -3.03 2.69 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.068 -0.515 . . . . 1.0 109.919 179.899 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.786 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 11.8 m-85 -111.21 -19.73 0.12 Allowed Pre-proline 0 CA--C 1.532 0.282 0 N-CA-C 113.021 0.749 . . . . 1.0 113.021 179.74 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 81.4 Cg_exo -45.02 113.38 0.48 Allowed 'Trans proline' 0 C--N 1.309 -1.541 0 C-N-CA 123.229 2.619 . . . . 1.0 109.663 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 15' ' ' LYS . 8.6 p -137.41 146.21 28.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.631 -0.428 . . . . 1.0 111.53 -179.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.1 m -51.18 -36.66 42.34 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.752 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.0 mmtm -57.57 -26.43 61.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.678 -0.692 . . . . 1.0 109.936 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.538 ' O ' ' N ' ' A' ' 18' ' ' LEU . 0.0 OUTLIER -72.74 -18.6 61.5 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.214 -179.534 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.403 ' N ' HD13 ' A' ' 45' ' ' LEU . 11.5 pt20 -45.55 -14.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 1.0 109.889 179.245 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.0 mt -104.28 107.39 18.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.274 179.016 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -45.44 -14.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.464 179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.548 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -80.75 -44.37 18.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 1.0 109.935 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 89.4 mm-40 -64.63 -40.33 95.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.932 -0.576 . . . . 1.0 110.308 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 17.1 m -52.37 -59.06 4.86 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.787 -0.642 . . . . 1.0 111.719 -179.141 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.548 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 12.8 p-10 -67.22 -45.17 77.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.607 -178.5 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -59.92 -53.23 60.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.883 0.373 . . . . 1.0 110.875 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -64.31 -43.97 93.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.057 179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' LYS . 89.1 m -65.71 -43.98 87.48 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.801 0.334 . . . . 1.0 110.287 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.401 ' CG ' ' O ' ' A' ' 32' ' ' ALA . 14.0 mtpp -49.1 -50.96 34.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.075 0.464 . . . . 1.0 109.93 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 78.6 mt -72.19 -32.57 66.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.716 -0.675 . . . . 1.0 111.206 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -96.95 -63.11 1.16 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -176.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.617 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.5 mmtt -100.6 1.11 40.47 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 112.948 0.721 . . . . 1.0 112.948 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' N ' ' O ' ' A' ' 26' ' ' CYS . 16.4 m80 59.82 67.02 0.91 Allowed 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.821 -0.352 . . . . 1.0 111.222 179.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.401 ' O ' ' CG ' ' A' ' 27' ' ' LYS . . . -104.79 143.69 32.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.832 -0.433 . . . . 1.0 109.832 179.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.609 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 25.7 mmt180 -78.49 -42.87 28.44 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.791 -0.364 . . . . 1.0 111.314 -178.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' ' O ' ' A' ' 35' ' ' GLY . 2.8 m -129.55 -7.52 4.64 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.386 -0.37 . . . . 1.0 111.696 -177.738 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.703 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 42.15 115.67 0.0 OUTLIER Glycine 0 CA--C 1.527 0.806 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.465 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 30.6 mp0 -125.79 120.36 30.35 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.555 ' SG ' ' SG ' ' A' ' 22' ' ' CYS . 22.7 m -111.31 126.42 54.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 1.0 111.345 179.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.541 ' CD1' HD12 ' A' ' 48' ' ' ILE . 53.2 m-85 -119.62 167.4 12.05 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.897 -0.592 . . . . 1.0 110.338 -179.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.542 ' CE2' HD21 ' A' ' 45' ' ' LEU . 24.5 m-85 -101.52 123.25 45.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.437 179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.433 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 55.4 p30 -95.46 -164.16 1.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.539 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -69.68 -28.9 66.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.518 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -76.71 2.3 14.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.711 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.33 18.63 9.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.332 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.726 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.8 OUTLIER -100.57 156.67 17.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 1.0 110.269 179.626 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.542 HD21 ' CE2' ' A' ' 39' ' ' TYR . 28.9 mt -83.13 105.06 13.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.698 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.726 ' NE2' HD21 ' A' ' 44' ' ' ASN . 92.8 mm-40 -80.42 109.83 15.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.559 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.8 m -74.06 102.75 4.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.763 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.541 HD12 ' CD1' ' A' ' 38' ' ' PHE . 15.7 mt -103.31 100.98 11.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.619 179.276 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 70.9 m -78.94 126.49 30.76 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.536 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.746 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.2 p30 -106.53 145.72 31.5 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 1.0 111.167 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.486 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.1 m-85 -110.91 95.85 5.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.248 178.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.609 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.3 m 78.02 -65.64 0.24 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.369 -0.378 . . . . 1.0 111.706 178.653 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 79.1 mm-40 -77.49 114.64 16.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.825 0.345 . . . . 1.0 111.024 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.546 ' HA ' ' HZ3' ' A' ' 5' ' ' LYS . 43.9 p90 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.509 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.749 0.309 . . . . 1.0 110.596 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -61.73 -31.74 71.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.548 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.8 m -52.37 -15.42 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.512 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -98.27 136.54 38.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.196 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.628 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.2 mtmm -146.97 123.06 10.79 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.589 -0.522 . . . . 1.0 109.589 179.225 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.8 t -80.81 136.03 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.499 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -110.58 79.26 1.19 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.912 -0.585 . . . . 1.0 110.326 -179.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.44 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 74.7 mm-40 -63.03 156.24 25.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.396 178.411 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.568 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 0.6 OUTLIER 66.37 48.52 1.56 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.039 -0.528 . . . . 1.0 109.88 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 10' ' ' ASN . 6.2 m-85 -155.14 -57.4 0.02 OUTLIER Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 113.066 0.765 . . . . 1.0 113.066 -179.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.623 ' CB ' ' O ' ' A' ' 45' ' ' LEU . 2.1 Cg_endo -39.5 136.24 1.11 Allowed 'Trans proline' 0 C--N 1.309 -1.513 0 C-N-CA 123.246 2.631 . . . . 1.0 109.706 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.606 HG22 ' N ' ' A' ' 14' ' ' SER . 4.6 p -138.29 163.26 29.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.533 -179.009 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.606 ' N ' HG22 ' A' ' 13' ' ' VAL . 22.4 m -45.24 -32.53 1.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.212 -0.662 . . . . 1.0 109.212 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.572 ' H ' HG22 ' A' ' 13' ' ' VAL . 42.2 mmtm -69.77 -27.04 64.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.672 -0.695 . . . . 1.0 109.944 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.588 ' N ' ' O ' ' A' ' 13' ' ' VAL . 94.5 m -67.27 -19.76 65.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.19 -179.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' OE1' ' O ' ' A' ' 14' ' ' SER . 12.1 pt20 -47.98 -9.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.829 179.078 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.588 ' H ' ' C ' ' A' ' 16' ' ' CYS . 80.5 mt -106.53 109.28 21.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.225 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -49.9 -12.78 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.432 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -83.67 -49.7 8.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.487 . . . . 1.0 109.965 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -61.07 -36.84 80.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.931 -0.577 . . . . 1.0 110.365 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.567 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 99.1 m -58.85 -59.82 4.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.774 -0.648 . . . . 1.0 111.778 -178.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -65.12 -42.43 93.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.343 -0.39 . . . . 1.0 111.658 -177.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.61 -54.16 31.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.824 0.345 . . . . 1.0 110.83 179.583 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 61.3 m-20 -62.15 -40.17 95.07 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.059 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.549 ' O ' ' N ' ' A' ' 30' ' ' LYS . 73.0 m -63.94 -41.16 97.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.792 0.33 . . . . 1.0 110.349 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 mtpp -57.92 -45.1 87.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.014 0.435 . . . . 1.0 109.926 179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.0 mt -71.46 -40.84 70.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.707 -0.679 . . . . 1.0 111.139 -179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.68 -60.57 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 113.113 0.783 . . . . 1.0 113.113 -177.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.549 ' N ' ' O ' ' A' ' 26' ' ' CYS . 81.1 mttt -84.48 4.91 29.57 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -177.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.491 ' N ' ' O ' ' A' ' 26' ' ' CYS . 72.6 m-70 53.35 16.53 0.88 Allowed 'General case' 0 C--N 1.323 -0.544 0 C-N-CA 120.804 -0.358 . . . . 1.0 111.266 178.538 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.456 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -69.06 152.06 45.68 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.824 -0.435 . . . . 1.0 109.824 179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.449 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 20.3 mmm180 -79.12 -42.84 25.34 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.731 -0.388 . . . . 1.0 111.409 -179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.603 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.7 t -127.17 -7.99 5.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.323 -0.399 . . . . 1.0 111.673 -178.151 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.603 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.51 100.33 0.01 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -113.91 131.09 56.42 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.997 -0.372 . . . . 1.0 109.997 -179.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 47' ' ' CYS . 59.3 m -110.33 137.04 48.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 1.0 111.36 -179.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.498 ' CD1' HD12 ' A' ' 48' ' ' ILE . 58.0 m-85 -129.64 165.07 22.53 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.927 -0.579 . . . . 1.0 110.243 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.475 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 17.9 m-85 -93.75 130.85 39.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.345 179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.445 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 54.9 p-10 -101.53 -174.71 2.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.565 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.434 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 47.8 mp0 -66.98 -30.18 70.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.547 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -72.69 5.16 3.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.622 179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.8 mmm180 62.7 17.72 10.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.316 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.515 ' C ' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -108.21 153.07 23.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.252 179.259 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.623 ' O ' ' CB ' ' A' ' 12' ' ' PRO . 10.1 mt -81.41 120.59 25.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.692 -179.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.462 ' NE2' HD21 ' A' ' 44' ' ' ASN . 82.4 mm-40 -99.06 119.87 38.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.645 178.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.573 ' SG ' ' SG ' ' A' ' 37' ' ' CYS . 88.5 m -82.56 104.26 12.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.796 -179.604 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.498 HD12 ' CD1' ' A' ' 38' ' ' PHE . 31.2 mt -99.37 100.46 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.593 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.456 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 95.0 m -77.56 135.35 38.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.544 -179.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.802 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.1 p30 -111.91 143.23 43.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.144 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.628 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 14.4 m-85 -113.7 96.7 5.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.225 179.126 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.452 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 75.07 -35.72 0.29 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.697 176.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' H ' ' C ' ' A' ' 51' ' ' TYR . 77.7 mm-40 -115.12 115.92 27.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.794 0.331 . . . . 1.0 111.005 -178.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.563 -179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.848 0.356 . . . . 1.0 110.556 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -82.18 138.42 34.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.547 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.5 ' SG ' ' OE1' ' A' ' 53' ' ' GLU . 3.5 m -140.43 -13.33 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.477 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 41.6 mmtm -102.63 140.54 36.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.202 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -141.33 115.26 9.17 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.559 -0.534 . . . . 1.0 109.559 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 18.9 t -75.79 131.22 35.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.212 -0.449 . . . . 1.0 111.478 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.624 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 5.4 m-85 -112.72 85.11 2.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.938 -0.574 . . . . 1.0 110.315 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.432 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 77.6 mm-40 -70.17 161.51 30.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.429 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.555 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 73.12 -0.13 3.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.914 179.854 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.805 ' O ' HG23 ' A' ' 13' ' ' VAL . 15.3 m-85 -110.27 -18.21 0.13 Allowed Pre-proline 0 CA--C 1.534 0.345 0 N-CA-C 112.957 0.725 . . . . 1.0 112.957 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.792 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -47.18 124.92 9.67 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 123.277 2.651 . . . . 1.0 109.687 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 11' ' ' TYR . 5.5 t -132.71 139.22 50.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.551 -0.46 . . . . 1.0 111.501 179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.3 p -51.53 -29.32 16.45 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.205 -0.665 . . . . 1.0 109.205 178.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.566 ' H ' HG12 ' A' ' 13' ' ' VAL . 62.8 mttp -64.86 -25.99 68.13 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.69 -0.686 . . . . 1.0 110.013 179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.566 ' O ' ' N ' ' A' ' 18' ' ' LEU . 85.0 m -65.7 -22.6 66.63 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.228 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -43.68 -16.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.893 179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' N ' ' O ' ' A' ' 16' ' ' CYS . 75.6 mt -100.35 105.67 17.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.811 -0.632 . . . . 1.0 110.289 178.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.32 -18.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.448 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.644 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -78.99 -49.14 13.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 1.0 109.946 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -60.29 -39.31 86.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.962 -0.563 . . . . 1.0 110.391 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.671 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 90.1 m -52.23 -60.77 2.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.779 -0.646 . . . . 1.0 111.767 -178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.644 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.3 p-10 -68.08 -43.84 77.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.403 -0.362 . . . . 1.0 111.644 -177.291 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.457 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.0 m-85 -62.77 -54.2 42.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.86 0.362 . . . . 1.0 110.86 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -62.7 -43.86 97.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 1.0 111.022 -179.634 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.586 ' O ' ' N ' ' A' ' 30' ' ' LYS . 67.2 m -60.36 -44.38 95.65 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.747 0.308 . . . . 1.0 110.278 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -55.59 -44.56 77.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.024 0.44 . . . . 1.0 109.923 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.3 mt -69.97 -44.36 69.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.238 -179.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -98.15 -57.86 2.11 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.117 0.784 . . . . 1.0 113.117 -177.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.586 ' N ' ' O ' ' A' ' 26' ' ' CYS . 55.0 mttp -84.63 -1.47 56.08 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.915 0.709 . . . . 1.0 112.915 -176.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.56 ' N ' ' O ' ' A' ' 26' ' ' CYS . 60.8 m-70 57.5 17.18 3.72 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.866 -0.333 . . . . 1.0 111.223 178.426 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.444 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -68.84 154.0 42.78 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.874 -0.417 . . . . 1.0 109.874 178.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.486 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 64.3 mtt-85 -77.23 -46.58 22.73 Favored 'General case' 0 C--N 1.329 -0.288 0 C-N-CA 120.734 -0.386 . . . . 1.0 111.384 -179.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.64 ' O ' ' O ' ' A' ' 35' ' ' GLY . 3.7 m -128.99 -2.42 5.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.329 -0.396 . . . . 1.0 111.802 -178.201 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.64 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 36.49 104.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.018 -0.833 . . . . 1.0 111.018 179.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.528 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 49.5 mp0 -109.17 123.42 49.19 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 110.057 -0.349 . . . . 1.0 110.057 179.24 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.671 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 8.0 m -106.78 128.67 54.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 1.0 111.375 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.537 ' CD1' HD12 ' A' ' 48' ' ' ILE . 73.9 m-85 -119.54 161.23 20.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.956 -0.566 . . . . 1.0 110.28 179.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.437 ' CE2' HD21 ' A' ' 45' ' ' LEU . 25.6 m-85 -96.86 127.96 43.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.413 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 48.5 p-10 -102.84 -169.92 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.55 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 47.4 mp0 -68.8 -31.03 69.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.431 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 56.2 mttm -73.97 4.04 5.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.609 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.7 mmm-85 61.43 18.71 9.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.354 -179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.728 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -100.63 155.68 17.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.222 179.65 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.437 HD21 ' CE2' ' A' ' 39' ' ' TYR . 36.7 mt -86.27 104.31 15.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.67 -179.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.728 ' NE2' HD21 ' A' ' 44' ' ' ASN . 83.5 mm-40 -80.0 111.94 16.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.555 -179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 93.3 m -81.79 106.94 14.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.744 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.537 HD12 ' CD1' ' A' ' 38' ' ' PHE . 56.0 mt -105.36 102.8 14.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.622 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.624 ' SG ' ' CD1' ' A' ' 8' ' ' TYR . 3.1 m -66.59 125.93 27.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.535 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.859 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.0 p30 -108.54 139.21 43.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.199 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.471 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 15.2 m-85 -111.45 95.45 5.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.179 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.486 ' H ' ' HD2' ' A' ' 33' ' ' ARG . 3.3 m 76.1 -68.15 0.2 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.65 179.066 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' OE1' ' SG ' ' A' ' 4' ' ' CYS . 51.7 mp0 -71.88 124.54 25.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.836 0.35 . . . . 1.0 111.011 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.499 179.786 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 52.5 p30 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.76 0.314 . . . . 1.0 110.556 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.4 mttt 56.33 45.55 22.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.548 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 7.2 m -58.42 -30.28 66.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.566 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -90.85 127.71 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.221 -179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -134.77 136.83 42.89 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.517 -0.549 . . . . 1.0 109.517 178.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 16.3 t -79.58 133.64 29.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.167 -0.47 . . . . 1.0 111.45 -179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.403 ' CD2' ' SG ' ' A' ' 49' ' ' CYS . 10.0 m-85 -123.7 79.03 1.66 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.921 -0.581 . . . . 1.0 110.283 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.512 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 45.7 mp0 -66.15 179.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.45 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.525 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.16 10.33 3.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.115 -0.493 . . . . 1.0 109.95 -179.44 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.947 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 68.6 m-85 -147.56 31.94 0.08 OUTLIER Pre-proline 0 CA--C 1.533 0.307 0 N-CA-C 112.914 0.709 . . . . 1.0 112.914 179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.947 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 5.2 Cg_exo -84.08 117.34 2.21 Favored 'Trans proline' 0 C--N 1.308 -1.562 0 C-N-CA 123.267 2.645 . . . . 1.0 109.665 176.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.535 HG12 ' H ' ' A' ' 15' ' ' LYS . 6.5 t -134.59 140.82 44.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.664 -0.414 . . . . 1.0 111.508 -177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.2 m -51.79 -33.4 35.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.18 -0.674 . . . . 1.0 109.18 178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.535 ' H ' HG12 ' A' ' 13' ' ' VAL . 68.6 mttm -58.42 -27.43 64.31 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.648 -0.705 . . . . 1.0 109.97 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.567 ' O ' ' N ' ' A' ' 18' ' ' LEU . 58.1 m -65.03 -24.91 67.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.229 179.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -43.1 -17.63 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 1.0 109.85 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.567 ' N ' ' O ' ' A' ' 16' ' ' CYS . 85.2 mt -98.72 104.74 16.8 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.872 -0.604 . . . . 1.0 110.284 179.237 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -44.95 -16.62 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.417 179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.655 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.0 m-20 -79.92 -47.46 15.01 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.242 -0.436 . . . . 1.0 109.913 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 84.5 mm-40 -62.47 -39.21 92.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.352 178.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.545 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 95.0 m -52.93 -59.44 4.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.777 -0.647 . . . . 1.0 111.701 -178.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.655 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.8 p-10 -68.15 -42.85 79.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.426 -0.352 . . . . 1.0 111.541 -177.276 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.434 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 5.7 m-85 -64.85 -51.05 64.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.814 0.34 . . . . 1.0 110.865 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -64.21 -47.26 80.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.08 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.548 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.7 m -56.79 -45.38 82.23 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.893 -0.323 . . . . 1.0 110.317 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 81.0 mttt -55.25 -41.74 72.56 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.024 0.44 . . . . 1.0 109.948 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 75.1 mt -71.42 -36.31 71.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.678 -0.692 . . . . 1.0 111.212 179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.39 -62.05 1.31 Allowed 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 113.125 0.787 . . . . 1.0 113.125 -177.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.625 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 41.2 mmtm -95.56 2.74 54.4 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 113.033 0.753 . . . . 1.0 113.033 -176.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 63.4 m-70 57.24 25.05 10.6 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.799 -0.36 . . . . 1.0 111.199 179.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.09 153.47 37.49 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.833 -0.432 . . . . 1.0 109.833 179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 57.9 mmt-85 -75.28 -43.29 52.03 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.718 -0.393 . . . . 1.0 111.388 -179.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.646 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -131.32 -1.85 3.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 1.0 111.743 -178.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.646 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.23 103.59 0.01 OUTLIER Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.332 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.424 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 79.1 mm-40 -116.87 131.18 57.02 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.042 -0.355 . . . . 1.0 110.042 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.545 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.9 m -106.8 142.46 36.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.003 0.43 . . . . 1.0 111.383 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.629 ' CD1' HD12 ' A' ' 48' ' ' ILE . 86.0 m-85 -130.05 162.42 28.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.934 -0.576 . . . . 1.0 110.315 179.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.406 ' CE2' HD21 ' A' ' 45' ' ' LEU . 57.9 m-85 -94.38 125.44 39.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.378 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.44 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 41.6 p-10 -99.65 -169.29 1.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.431 . . . . 1.0 110.525 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.659 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 7.1 pm0 -71.04 -29.35 65.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.481 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.606 ' HB2' ' HZ2' ' A' ' 42' ' ' LYS . 9.1 mtmp? -75.32 4.38 7.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.605 179.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.9 mmm-85 61.75 18.87 10.06 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.299 -179.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.718 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -103.17 155.85 18.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.233 179.705 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.406 HD21 ' CE2' ' A' ' 39' ' ' TYR . 39.0 mt -86.31 106.18 17.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.295 -0.412 . . . . 1.0 110.674 -179.249 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' NE2' HD21 ' A' ' 44' ' ' ASN . 78.2 mm-40 -83.39 119.33 24.51 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.608 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.485 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 32.9 m -78.42 104.56 9.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.756 -179.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.629 HD12 ' CD1' ' A' ' 38' ' ' PHE . 16.2 mt -105.01 106.01 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.6 179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.403 ' SG ' ' CD2' ' A' ' 8' ' ' TYR . 61.1 m -73.43 125.11 27.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.539 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.716 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.4 p30 -103.58 146.84 27.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.161 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.477 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 8.2 m-85 -109.78 97.2 6.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.244 178.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.477 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 76.55 -63.11 0.39 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.343 -0.389 . . . . 1.0 111.712 179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -87.09 114.88 24.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.807 0.337 . . . . 1.0 110.953 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.7 p90 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.489 179.722 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.808 0.337 . . . . 1.0 110.558 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -58.92 -35.17 72.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.565 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 50.4 m -130.07 -14.36 3.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.625 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -92.42 136.78 32.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 1.0 111.181 -179.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 45.5 mtpt -140.93 127.52 20.14 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.558 -0.534 . . . . 1.0 109.558 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 13.6 t -84.1 132.41 31.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.207 -0.451 . . . . 1.0 111.431 -179.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -118.75 89.27 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.849 -0.614 . . . . 1.0 110.323 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.429 ' OE2' ' OE1' ' A' ' 46' ' ' GLN . 70.5 mm-40 -68.88 173.8 5.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.438 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.4 OUTLIER 71.84 -1.75 2.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.067 -0.515 . . . . 1.0 109.835 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.919 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m-85 -113.78 -14.97 0.11 Allowed Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 112.942 0.719 . . . . 1.0 112.942 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.805 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.9 Cg_exo -48.41 118.87 3.58 Favored 'Trans proline' 0 C--N 1.308 -1.567 0 C-N-CA 123.266 2.644 . . . . 1.0 109.712 178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.919 HG23 ' O ' ' A' ' 11' ' ' TYR . 13.9 t -132.62 141.39 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.607 -0.437 . . . . 1.0 111.52 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 m -49.81 -32.52 14.27 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 178.257 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.608 ' H ' HG12 ' A' ' 13' ' ' VAL . 62.7 mttp -62.74 -27.98 69.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.609 -0.723 . . . . 1.0 109.986 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.565 ' O ' ' N ' ' A' ' 18' ' ' LEU . 70.9 m -63.85 -18.46 64.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.178 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.413 ' N ' HD13 ' A' ' 45' ' ' LEU . 13.2 pt20 -43.38 -16.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 1.0 109.874 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.7 mt -103.3 104.2 14.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.864 -0.607 . . . . 1.0 110.215 178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -43.97 -15.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.521 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.576 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.3 m-20 -81.65 -42.36 20.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.022 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 18' ' ' LEU . 70.4 mm-40 -64.39 -41.21 96.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.903 -0.589 . . . . 1.0 110.375 179.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.627 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 5.7 m -54.94 -59.7 4.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.757 -0.656 . . . . 1.0 111.733 -178.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.576 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 14.7 p-10 -63.95 -42.83 97.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.39 -0.368 . . . . 1.0 111.619 -178.088 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -65.53 -48.0 73.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.878 0.371 . . . . 1.0 110.88 179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -60.4 -43.9 96.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 1.0 111.122 179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.573 ' O ' ' N ' ' A' ' 30' ' ' LYS . 83.9 m -57.44 -45.3 84.85 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.887 -0.325 . . . . 1.0 110.303 179.121 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.2 mtpt -54.8 -42.61 72.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.254 -0.43 . . . . 1.0 109.888 178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 85.6 mt -70.94 -39.15 72.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.752 -0.658 . . . . 1.0 111.192 179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -96.97 -61.32 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.086 0.773 . . . . 1.0 113.086 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.626 ' NZ ' ' CE1' ' A' ' 11' ' ' TYR . 62.1 mmtt -92.32 4.11 54.02 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.952 0.723 . . . . 1.0 112.952 -176.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.408 ' N ' ' O ' ' A' ' 26' ' ' CYS . 61.8 m-70 57.94 17.46 4.35 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.819 -0.352 . . . . 1.0 111.288 178.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.07 173.62 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.854 -0.425 . . . . 1.0 109.854 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 76.6 mtt85 -100.28 -68.93 0.79 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.73 -0.388 . . . . 1.0 111.344 -179.373 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.569 ' O ' ' O ' ' A' ' 35' ' ' GLY . 6.9 t -130.31 31.73 4.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.382 -0.372 . . . . 1.0 111.773 -177.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.569 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -40.16 170.45 0.01 OUTLIER Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.979 -0.848 . . . . 1.0 110.979 -178.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 51.8 mp0 -146.09 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 110.019 -0.363 . . . . 1.0 110.019 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.627 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 1.9 m -110.31 135.62 50.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 1.0 111.347 -179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.631 ' CD1' HD12 ' A' ' 48' ' ' ILE . 76.0 m-85 -123.22 163.63 20.27 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.305 179.401 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.405 ' CE2' HD21 ' A' ' 45' ' ' LEU . 78.4 m-85 -96.58 130.91 43.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.442 -179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.437 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 43.3 p-10 -104.9 -163.75 0.98 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.578 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.637 ' CD ' ' H ' ' A' ' 41' ' ' GLU . 2.2 pm0 -74.18 -33.17 63.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.501 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 91.1 mttt -73.88 5.97 3.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.583 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.2 mmm-85 60.56 18.44 8.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.335 -179.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.706 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -98.67 155.29 17.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.289 179.592 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.413 HD13 ' N ' ' A' ' 17' ' ' GLN . 20.4 mt -86.18 102.73 14.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.316 -0.402 . . . . 1.0 110.684 -179.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.706 ' NE2' HD21 ' A' ' 44' ' ' ASN . 72.3 mm-40 -79.26 115.44 18.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.609 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.0 m -81.58 111.76 18.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.8 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.631 HD12 ' CD1' ' A' ' 38' ' ' PHE . 33.8 mt -106.17 102.79 14.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.579 179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 65.7 m -73.54 128.11 34.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.551 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.735 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.4 p30 -106.74 146.55 30.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.193 -0.458 . . . . 1.0 111.239 -179.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.481 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.9 m-85 -111.49 98.42 7.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.201 178.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.481 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.37 -59.64 0.46 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.328 -0.396 . . . . 1.0 111.741 178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -99.8 123.84 44.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 1.0 110.935 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 45.6 p90 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.471 179.737 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.805 0.336 . . . . 1.0 110.537 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 60.5 mmtt -58.27 -33.18 69.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.535 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -54.63 -32.87 59.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.526 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.4 mmtp -90.67 131.29 36.45 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.156 -0.474 . . . . 1.0 111.181 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.63 ' NZ ' ' CE1' ' A' ' 51' ' ' TYR . 35.1 mtmm -140.28 130.7 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.526 -0.546 . . . . 1.0 109.526 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 21.4 t -79.48 131.07 35.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.439 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -114.87 78.66 1.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.86 -0.609 . . . . 1.0 110.33 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 77.6 mm-40 -62.76 172.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.481 178.376 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.552 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 75.83 10.37 3.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.059 -0.519 . . . . 1.0 109.905 -179.387 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.968 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 57.8 m-85 -142.87 29.02 0.09 OUTLIER Pre-proline 0 CA--C 1.533 0.294 0 N-CA-C 112.966 0.728 . . . . 1.0 112.966 179.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.968 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 2.3 Cg_endo -86.67 117.33 1.43 Allowed 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 123.323 2.682 . . . . 1.0 109.635 176.515 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.5 HG12 ' H ' ' A' ' 15' ' ' LYS . 7.7 t -135.52 145.31 31.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.664 -0.415 . . . . 1.0 111.497 -177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.5 t -52.03 -34.13 41.7 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.188 -0.671 . . . . 1.0 109.188 178.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.5 ' H ' HG12 ' A' ' 13' ' ' VAL . 98.8 mttt -58.29 -27.43 64.06 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.981 178.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.562 ' O ' ' N ' ' A' ' 18' ' ' LEU . 33.8 m -63.62 -26.75 68.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.22 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -43.61 -16.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.959 179.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.562 ' N ' ' O ' ' A' ' 16' ' ' CYS . 12.9 mt -99.74 102.09 13.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.289 179.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.09 -15.25 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.377 -0.374 . . . . 1.0 110.445 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.671 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -81.63 -46.52 14.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 1.0 109.906 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -62.46 -39.18 92.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.987 -0.551 . . . . 1.0 110.344 179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.619 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 77.8 m -55.65 -58.66 6.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.797 -0.638 . . . . 1.0 111.717 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.671 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.07 -42.54 84.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.391 -0.368 . . . . 1.0 111.588 -177.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.1 m-85 -66.01 -52.36 50.01 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.831 0.348 . . . . 1.0 110.844 179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -62.59 -45.1 94.43 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.101 -0.5 . . . . 1.0 111.037 -179.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.559 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.2 m -57.97 -44.28 86.98 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.333 179.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 49.1 mtpt -55.69 -42.15 74.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 1.0 109.906 178.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.2 mt -71.28 -37.61 71.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.776 -0.647 . . . . 1.0 111.205 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -98.02 -61.93 1.32 Allowed 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 113.056 0.762 . . . . 1.0 113.056 -177.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.611 ' NZ ' ' CG ' ' A' ' 11' ' ' TYR . 36.7 mmtm -93.59 4.11 54.46 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.945 0.721 . . . . 1.0 112.945 -176.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.417 ' N ' ' O ' ' A' ' 26' ' ' CYS . 29.8 m80 55.93 21.01 4.58 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.279 178.412 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.4 ' HB3' ' HB3' ' A' ' 26' ' ' CYS . . . -64.26 150.67 45.51 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.839 -0.43 . . . . 1.0 109.839 178.653 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.69 ' HE ' ' N ' ' A' ' 52' ' ' CYS . 57.4 mtt-85 -72.7 -46.36 54.1 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.729 -0.388 . . . . 1.0 111.447 -178.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.694 ' O ' ' O ' ' A' ' 35' ' ' GLY . 1.3 t -129.61 -1.52 4.88 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.293 -0.412 . . . . 1.0 111.754 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.694 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 28.76 105.99 0.0 OUTLIER Glycine 0 CA--C 1.527 0.789 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' OE2' ' OD2' ' A' ' 50' ' ' ASP . 22.5 mp0 -116.74 132.91 56.57 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 110.004 -0.369 . . . . 1.0 110.004 -179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.619 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.6 m -107.06 140.65 39.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.464 . . . . 1.0 111.428 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.633 ' CD1' HD12 ' A' ' 48' ' ' ILE . 89.5 m-85 -126.73 161.27 28.54 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.293 179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.492 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 10.7 m-85 -96.58 123.72 40.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.409 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.94 -176.51 3.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.525 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -63.65 -29.26 70.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.551 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 88.4 mttt -76.86 5.3 8.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.572 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 61.51 18.39 9.39 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.317 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -98.56 151.81 20.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.247 179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 24.0 mt -89.14 105.09 17.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.941 0.4 . . . . 1.0 110.718 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.425 ' OE1' ' OE1' ' A' ' 9' ' ' GLU . 63.9 mm-40 -87.31 125.78 34.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.602 -179.558 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 33.8 m -83.3 108.21 16.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.706 -179.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.633 HD12 ' CD1' ' A' ' 38' ' ' PHE . 20.0 mt -105.36 104.48 17.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.571 179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 63.3 m -77.15 132.71 38.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.551 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.755 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.5 p30 -108.87 146.0 34.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.237 -0.438 . . . . 1.0 111.179 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.63 ' CE1' ' NZ ' ' A' ' 6' ' ' LYS . 12.6 m-85 -113.49 98.77 7.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.243 178.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.69 ' N ' ' HE ' ' A' ' 33' ' ' ARG . 3.7 m 79.65 -71.88 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.295 -0.411 . . . . 1.0 111.718 178.182 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 36.8 mp0 -78.85 130.88 36.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.799 0.333 . . . . 1.0 110.999 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 p90 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.538 179.65 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 51.1 p30 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.78 0.324 . . . . 1.0 110.557 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.82 -35.18 70.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.577 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.6 -22.83 65.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.538 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.2 mmtp -87.88 136.36 32.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.217 -179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.406 ' HZ2' ' HB3' ' A' ' 6' ' ' LYS . 15.2 mtpp -142.22 123.86 15.03 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.607 -0.516 . . . . 1.0 109.607 178.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -82.35 138.92 18.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.183 -0.462 . . . . 1.0 111.458 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -118.4 90.41 3.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.916 -0.584 . . . . 1.0 110.358 179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -70.99 165.35 23.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.45 178.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.514 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 70.26 -0.0 3.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.114 -0.494 . . . . 1.0 109.939 179.773 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.821 ' O ' HG23 ' A' ' 13' ' ' VAL . 11.6 m-85 -111.78 -17.08 0.12 Allowed Pre-proline 0 CA--C 1.533 0.326 0 N-CA-C 113.002 0.741 . . . . 1.0 113.002 -179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.785 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 77.3 Cg_exo -47.1 125.39 10.14 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 123.274 2.649 . . . . 1.0 109.645 179.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.821 HG23 ' O ' ' A' ' 11' ' ' TYR . 7.1 t -132.73 143.12 40.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 C-N-CA 120.651 -0.42 . . . . 1.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 92.3 p -51.02 -29.61 12.99 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.249 -0.649 . . . . 1.0 109.249 177.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.543 ' H ' HG12 ' A' ' 13' ' ' VAL . 92.3 mttt -66.95 -26.14 66.68 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 115.666 -0.697 . . . . 1.0 110.0 178.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.528 ' O ' ' N ' ' A' ' 18' ' ' LEU . 82.2 m -59.61 -27.17 66.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.057 -0.52 . . . . 1.0 110.233 179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -45.57 -15.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 1.0 109.908 179.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.528 ' N ' ' O ' ' A' ' 16' ' ' CYS . 10.5 mt -104.55 101.72 11.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.839 -0.619 . . . . 1.0 110.293 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.72 -14.26 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.336 -0.393 . . . . 1.0 110.42 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.705 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 89.1 m-20 -84.42 -45.7 12.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.156 -0.475 . . . . 1.0 109.916 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 86.8 mm-40 -62.49 -40.33 96.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.326 179.254 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.585 ' CB ' ' HG ' ' A' ' 37' ' ' CYS . 0.1 OUTLIER -58.6 -59.18 5.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.747 -0.66 . . . . 1.0 111.79 -178.019 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.705 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.3 p-10 -63.67 -43.12 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.322 -0.399 . . . . 1.0 111.653 -177.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.3 m-85 -65.99 -53.46 38.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 1.0 110.888 179.365 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.3 m-20 -61.91 -43.99 97.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 1.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.576 ' O ' ' N ' ' A' ' 30' ' ' LYS . 68.6 m -58.34 -45.87 87.31 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.879 -0.328 . . . . 1.0 110.291 179.306 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.563 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 36.3 mttp -52.79 -42.05 64.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.091 0.472 . . . . 1.0 109.935 178.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 89.4 mt -71.08 -44.12 66.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.743 -0.662 . . . . 1.0 111.161 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -98.35 -60.08 1.62 Allowed 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 113.087 0.773 . . . . 1.0 113.087 -177.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' A' ' 26' ' ' CYS . 47.0 mttp -84.76 -1.86 56.87 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.954 0.724 . . . . 1.0 112.954 -176.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.551 ' N ' ' O ' ' A' ' 26' ' ' CYS . 28.1 m80 57.29 20.58 5.92 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 120.86 -0.336 . . . . 1.0 111.219 178.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.431 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -67.26 151.65 47.12 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.803 -0.443 . . . . 1.0 109.803 178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.563 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 31.4 mmt180 -81.87 -37.59 26.69 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.789 -0.364 . . . . 1.0 111.333 -179.262 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.622 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.7 OUTLIER -131.38 -7.09 3.76 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.399 -0.364 . . . . 1.0 111.742 -178.605 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.622 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.7 103.01 0.01 OUTLIER Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.065 -0.814 . . . . 1.0 111.065 -178.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 34.9 mp0 -106.52 136.56 46.08 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.985 -0.376 . . . . 1.0 109.985 179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.585 ' HG ' ' CB ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -112.29 136.23 52.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.385 -179.445 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.694 ' CD1' HD12 ' A' ' 48' ' ' ILE . 90.9 m-85 -132.34 161.56 33.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.315 179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -94.83 134.02 37.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.381 -0.372 . . . . 1.0 110.433 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.447 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -105.64 -176.73 3.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.636 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 41' ' ' GLU . 46.8 mp0 -66.39 -30.23 70.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.625 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 54.6 mttp -80.06 11.03 3.67 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.659 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 58.4 mtm180 61.06 14.08 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.301 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.447 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.1 t30 -93.65 151.71 19.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.206 179.4 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 12' ' ' PRO . 37.1 mt -87.08 104.57 16.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.728 -179.646 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 92.8 mm-40 -78.58 113.29 16.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.588 -179.701 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 27.1 m -77.99 102.0 7.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.787 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.694 HD12 ' CD1' ' A' ' 38' ' ' PHE . 32.2 mt -98.73 101.26 11.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.573 179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.472 ' HG ' ' HD3' ' A' ' 30' ' ' LYS . 81.8 m -78.75 134.25 37.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.399 . . . . 1.0 110.519 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.756 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 5.8 p30 -106.44 147.11 29.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 1.0 111.18 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.488 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.9 m-85 -112.1 99.23 7.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.257 178.651 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.511 ' H ' ' HG3' ' A' ' 33' ' ' ARG . 3.5 m 79.02 -56.75 0.44 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.288 -0.414 . . . . 1.0 111.694 178.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -106.4 127.03 52.97 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.768 0.318 . . . . 1.0 110.945 -179.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 43.6 p90 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.483 179.956 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.782 0.325 . . . . 1.0 110.578 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -75.38 140.15 42.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.486 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 3.1 m 67.78 14.04 9.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.584 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 29.9 mmtp -131.97 141.28 49.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 111.226 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -152.09 124.0 8.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.503 -0.554 . . . . 1.0 109.503 179.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.5 p -84.39 140.71 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 1.0 111.45 -179.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.415 ' CD1' ' SG ' ' A' ' 49' ' ' CYS . 18.6 m-85 -118.34 90.46 3.34 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.936 -0.575 . . . . 1.0 110.298 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.419 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 56.2 mp0 -71.61 163.04 28.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.448 . . . . 1.0 110.439 179.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.53 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 74.31 2.88 4.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.108 -0.496 . . . . 1.0 109.933 179.709 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.894 ' O ' HG23 ' A' ' 13' ' ' VAL . 16.4 m-85 -114.2 -19.75 0.11 Allowed Pre-proline 0 CA--C 1.533 0.292 0 N-CA-C 113.044 0.757 . . . . 1.0 113.044 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 73.3 Cg_exo -46.36 115.91 1.34 Allowed 'Trans proline' 0 C--N 1.309 -1.549 0 C-N-CA 123.276 2.65 . . . . 1.0 109.636 179.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 11' ' ' TYR . 85.3 t -133.6 145.04 34.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.545 -0.462 . . . . 1.0 111.452 -179.037 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 24.9 t -49.8 -39.9 39.86 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.187 -0.672 . . . . 1.0 109.187 -179.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.726 ' H ' HG12 ' A' ' 13' ' ' VAL . 25.2 pttt -54.99 -26.67 38.36 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.639 -0.71 . . . . 1.0 110.041 -179.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.553 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.1 m -65.4 -25.21 67.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.241 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.9 pt20 -43.94 -16.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 1.0 109.892 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 16' ' ' CYS . 83.7 mt -100.39 104.53 15.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.833 -0.621 . . . . 1.0 110.301 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -46.14 -18.72 0.06 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.404 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.647 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.9 m-20 -78.01 -50.15 12.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 1.0 109.928 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 47.5 mm-40 -59.94 -38.47 82.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.264 179.002 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.646 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 84.3 m -51.67 -61.62 2.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.823 -0.626 . . . . 1.0 111.755 -178.269 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.647 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 11.5 p-10 -68.38 -43.94 76.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.408 -0.36 . . . . 1.0 111.608 -177.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.406 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.6 m-85 -62.27 -54.24 43.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.841 0.353 . . . . 1.0 110.893 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -62.7 -44.41 96.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.112 -179.725 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.592 ' O ' ' N ' ' A' ' 30' ' ' LYS . 64.9 m -58.68 -43.38 89.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.492 -0.322 . . . . 1.0 110.294 179.564 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' A' ' 33' ' ' ARG . 41.0 mttm -56.27 -42.9 78.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.277 -0.419 . . . . 1.0 109.9 178.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 94.0 mt -69.85 -43.75 71.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.783 -0.644 . . . . 1.0 111.189 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -98.4 -57.92 2.09 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.141 0.793 . . . . 1.0 113.141 -177.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.592 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.4 mttp -86.07 -3.63 58.99 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 113.018 0.747 . . . . 1.0 113.018 -176.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' N ' ' O ' ' A' ' 26' ' ' CYS . 56.1 m-70 58.07 19.43 6.01 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.796 -0.362 . . . . 1.0 111.19 179.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.437 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -65.37 156.1 33.28 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.817 -0.438 . . . . 1.0 109.817 179.388 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.52 ' O ' ' NZ ' ' A' ' 27' ' ' LYS . 85.9 mtt-85 -83.67 -40.99 18.24 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.726 -0.389 . . . . 1.0 111.293 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.612 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.0 OUTLIER -129.9 -4.26 4.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.397 -0.365 . . . . 1.0 111.771 -178.728 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.612 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 31.87 102.04 0.01 OUTLIER Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.942 -0.863 . . . . 1.0 110.942 -179.261 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.422 ' OE2' ' OG ' ' A' ' 34' ' ' SER . 78.3 mm-40 -111.49 124.34 52.07 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.017 -0.364 . . . . 1.0 110.017 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.646 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 9.6 m -107.0 138.83 42.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 1.0 111.335 -179.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.559 ' CD1' HD12 ' A' ' 48' ' ' ILE . 78.1 m-85 -129.47 163.88 24.91 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.887 -0.597 . . . . 1.0 110.271 179.643 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -94.37 132.34 39.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.4 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.441 ' OD1' ' N ' ' A' ' 44' ' ' ASN . 52.7 p30 -103.87 -174.96 2.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.558 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -67.67 -30.37 69.89 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.491 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -79.72 9.68 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.567 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 3.6 mmm180 61.57 16.97 8.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.305 -179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 40' ' ' ASP . 1.2 t30 -95.19 150.51 20.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.243 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 35.6 mt -85.92 104.02 15.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.696 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 -78.89 112.93 16.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.636 -179.686 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.7 m -78.6 103.82 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.761 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.559 HD12 ' CD1' ' A' ' 38' ' ' PHE . 32.7 mt -104.65 101.87 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.588 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.437 ' SG ' ' HB2' ' A' ' 32' ' ' ALA . 64.6 m -70.18 127.84 34.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.268 -0.424 . . . . 1.0 110.52 179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.748 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 8.2 p30 -111.92 144.94 40.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.109 -179.114 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.423 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 16.6 m-85 -112.38 94.55 4.98 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.205 177.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 2.9 m 72.02 -69.19 0.19 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.357 -0.383 . . . . 1.0 111.71 178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -75.21 114.51 13.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.466 -0.334 . . . . 1.0 110.918 -179.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 95.6 m-85 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.555 179.487 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 2' ' ' ASP . 51.1 p30 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.838 0.352 . . . . 1.0 110.544 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 66.1 mmtt -84.78 147.44 26.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.618 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.4 m -55.76 -23.63 30.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.584 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.7 mmtm -93.26 134.15 35.75 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.168 -0.469 . . . . 1.0 111.222 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -143.31 134.87 26.34 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 178.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.5 p -86.15 139.93 16.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.202 -0.453 . . . . 1.0 111.454 -179.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -119.22 87.56 2.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.88 -0.6 . . . . 1.0 110.314 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 10' ' ' ASN . 57.1 mp0 -66.95 165.04 16.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.425 179.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.545 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.3 OUTLIER 77.12 0.92 3.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 1.0 109.871 179.536 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.788 ' N ' ' CD ' ' A' ' 12' ' ' PRO . 28.6 m-85 -115.88 -19.99 0.1 Allowed Pre-proline 0 CA--C 1.533 0.315 0 N-CA-C 113.009 0.744 . . . . 1.0 113.009 179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.788 ' CD ' ' N ' ' A' ' 11' ' ' TYR . 71.6 Cg_exo -46.8 116.28 1.59 Allowed 'Trans proline' 0 C--N 1.307 -1.609 0 C-N-CA 123.248 2.632 . . . . 1.0 109.643 179.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.46 HG13 ' O ' ' A' ' 11' ' ' TYR . 4.7 m -138.05 149.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.627 -0.429 . . . . 1.0 111.527 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.436 ' O ' ' OE1' ' A' ' 17' ' ' GLN . 25.5 t -54.64 -25.2 25.32 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.261 -0.644 . . . . 1.0 109.261 178.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.1 mmtm -64.59 -29.93 70.95 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.673 -0.694 . . . . 1.0 110.058 179.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.547 ' O ' ' N ' ' A' ' 18' ' ' LEU . 56.2 m -68.6 -20.76 64.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.03 -0.532 . . . . 1.0 110.187 -179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.436 ' OE1' ' O ' ' A' ' 14' ' ' SER . 10.8 pt20 -44.79 -15.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.989 0.423 . . . . 1.0 109.927 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' A' ' 16' ' ' CYS . 82.9 mt -104.19 105.18 15.25 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.831 -0.622 . . . . 1.0 110.324 178.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -45.58 -16.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.474 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.651 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 88.4 m-20 -81.06 -47.14 13.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 1.0 109.973 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 72.4 mm-40 -61.17 -39.01 88.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.901 -0.59 . . . . 1.0 110.328 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.72 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 68.1 m -54.52 -59.99 3.95 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.817 -0.629 . . . . 1.0 111.73 -178.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.651 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 8.2 p-10 -67.19 -42.74 83.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.355 -0.384 . . . . 1.0 111.63 -177.155 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' N ' ' OD1' ' A' ' 23' ' ' ASN . 6.2 m-85 -65.0 -53.65 42.86 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.803 0.335 . . . . 1.0 110.82 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -62.36 -44.76 95.7 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.198 -0.455 . . . . 1.0 111.076 -179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.57 ' O ' ' N ' ' A' ' 30' ' ' LYS . 69.3 m -58.72 -44.2 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 1.0 110.348 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' NZ ' ' A' ' 27' ' ' LYS . 8.3 mtpm? -55.31 -42.9 74.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 109.984 178.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 93.8 mt -70.91 -43.64 67.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.715 -0.675 . . . . 1.0 111.138 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -97.96 -59.62 1.73 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 113.068 0.766 . . . . 1.0 113.068 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.57 ' N ' ' O ' ' A' ' 26' ' ' CYS . 48.2 mttp -84.85 -0.89 55.55 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.949 0.722 . . . . 1.0 112.949 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.543 ' N ' ' O ' ' A' ' 26' ' ' CYS . 63.2 m-70 57.17 17.46 3.56 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.768 -0.373 . . . . 1.0 111.27 178.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' HB2' ' SG ' ' A' ' 49' ' ' CYS . . . -66.48 152.41 45.22 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.824 -0.436 . . . . 1.0 109.824 179.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.434 ' HG3' ' H ' ' A' ' 52' ' ' CYS . 12.0 mmm180 -79.09 -40.74 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.778 -0.369 . . . . 1.0 111.344 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.636 ' O ' ' O ' ' A' ' 35' ' ' GLY . 0.1 OUTLIER -128.72 -7.11 5.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.373 -0.376 . . . . 1.0 111.734 -178.174 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.636 ' O ' ' O ' ' A' ' 34' ' ' SER . . . 29.02 102.43 0.01 OUTLIER Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.006 -0.838 . . . . 1.0 111.006 -179.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 78.8 mm-40 -115.35 133.46 56.01 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 110.06 -0.348 . . . . 1.0 110.06 -179.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.72 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 23.2 m -110.5 141.76 43.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.009 0.433 . . . . 1.0 111.361 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.59 ' CD1' HD12 ' A' ' 48' ' ' ILE . 79.7 m-85 -131.29 165.24 23.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.318 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.42 ' N ' ' CD1' ' A' ' 39' ' ' TYR . 28.7 m-85 -97.84 130.55 44.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.383 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.438 ' OD2' ' OD1' ' A' ' 44' ' ' ASN . 52.5 p-10 -107.17 -169.25 1.51 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.508 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.8 mp0 -68.63 -30.31 69.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.493 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 55.2 mttp -74.6 6.3 3.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.608 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 56.3 mtm180 58.9 15.2 3.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.433 . . . . 1.0 110.322 -179.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.718 HD21 ' NE2' ' A' ' 46' ' ' GLN . 0.7 OUTLIER -99.82 155.66 17.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.048 -0.523 . . . . 1.0 110.197 179.452 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 24.5 mt -85.45 104.44 15.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.701 -179.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.718 ' NE2' HD21 ' A' ' 44' ' ' ASN . 88.6 mm-40 -79.64 116.37 19.8 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.624 179.743 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 14.8 m -80.0 104.5 10.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.782 -179.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.59 HD12 ' CD1' ' A' ' 38' ' ' PHE . 24.0 mt -102.91 101.7 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.634 179.156 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.56 ' HG ' ' HD3' ' A' ' 30' ' ' LYS . 78.7 m -77.72 132.31 38.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.564 -179.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.723 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 7.9 p30 -106.1 146.41 30.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.191 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.484 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 9.1 m-85 -111.99 97.43 6.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.276 178.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.484 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.4 m 77.83 -65.12 0.27 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.37 -0.377 . . . . 1.0 111.717 177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -84.12 133.39 34.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.841 0.353 . . . . 1.0 111.005 -178.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.5 p90 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.487 179.765 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.734 0.302 . . . . 1.0 110.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.487 ' H ' ' CD ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -82.77 119.37 24.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.516 179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.5 m -67.62 -30.73 70.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.551 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -87.47 130.03 34.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 1.0 111.174 -179.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 15.6 mtpp -138.19 128.52 26.1 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.551 -0.537 . . . . 1.0 109.551 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.9 p -72.36 136.21 26.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.196 -0.456 . . . . 1.0 111.469 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 9' ' ' GLU . 13.8 m-85 -135.05 79.31 1.78 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.924 -0.58 . . . . 1.0 110.338 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.603 ' H ' ' CD ' ' A' ' 9' ' ' GLU . 40.9 mp0 -60.45 -141.26 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.432 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.548 ' O ' ' CD1' ' A' ' 11' ' ' TYR . 47.5 m-20 42.97 16.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.091 -0.504 . . . . 1.0 109.958 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.9 ' N ' ' HD3' ' A' ' 12' ' ' PRO . 32.0 m-85 -153.37 32.94 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.285 0 N-CA-C 112.99 0.737 . . . . 1.0 112.99 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.9 ' HD3' ' N ' ' A' ' 11' ' ' TYR . 1.2 Cg_endo -90.06 115.17 0.56 Allowed 'Trans proline' 0 C--N 1.308 -1.578 0 C-N-CA 123.303 2.669 . . . . 1.0 109.689 176.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.503 HG12 ' H ' ' A' ' 15' ' ' LYS . 5.8 t -137.7 146.32 27.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.61 -0.436 . . . . 1.0 111.515 -177.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 87.4 p -54.14 -30.62 49.73 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.21 -0.663 . . . . 1.0 109.21 178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.503 ' H ' HG12 ' A' ' 13' ' ' VAL . 64.6 mttm -63.89 -29.33 70.52 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.641 -0.709 . . . . 1.0 110.037 178.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.568 ' O ' ' N ' ' A' ' 18' ' ' LEU . 60.0 m -65.08 -19.85 66.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.205 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -42.62 -17.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 1.0 109.869 179.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.568 ' N ' ' O ' ' A' ' 16' ' ' CYS . 71.7 mt -96.51 103.87 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.898 -0.592 . . . . 1.0 110.376 179.184 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' O ' ' OD1' ' A' ' 23' ' ' ASN . . . -44.2 -17.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.353 -0.385 . . . . 1.0 110.501 -179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.573 ' O ' ' OD1' ' A' ' 23' ' ' ASN . 87.8 m-20 -79.53 -45.26 19.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 109.915 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . 0.413 ' N ' ' O ' ' A' ' 18' ' ' LEU . 63.3 mm-40 -62.2 -40.46 96.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.34 179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.59 ' HG ' ' HG ' ' A' ' 37' ' ' CYS . 4.0 m -53.55 -60.51 3.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.807 -0.633 . . . . 1.0 111.734 -178.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.573 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 13.4 p-10 -65.42 -43.99 88.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.42 -0.355 . . . . 1.0 111.583 -177.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -63.16 -48.14 79.69 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.834 0.35 . . . . 1.0 110.838 179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 86.4 m-20 -60.81 -43.69 97.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.131 -0.486 . . . . 1.0 111.054 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.603 ' O ' ' N ' ' A' ' 30' ' ' LYS . 94.1 m -57.65 -45.75 85.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.817 0.341 . . . . 1.0 110.365 179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.9 mtpt -54.85 -44.64 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.046 0.451 . . . . 1.0 109.996 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 86.0 mt -69.14 -39.14 79.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.681 -0.69 . . . . 1.0 111.23 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -97.08 -59.98 1.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 113.132 0.79 . . . . 1.0 113.132 -177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.603 ' N ' ' O ' ' A' ' 26' ' ' CYS . 65.8 mmtt -93.8 3.33 55.59 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.002 0.742 . . . . 1.0 113.002 -176.436 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 26' ' ' CYS . 26.7 m80 57.94 19.47 5.87 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.793 -0.363 . . . . 1.0 111.265 178.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.45 176.85 1.29 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.884 -0.413 . . . . 1.0 109.884 179.062 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.452 ' HD2' ' H ' ' A' ' 52' ' ' CYS . 80.4 mtt-85 -99.1 -69.7 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.779 -0.368 . . . . 1.0 111.375 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.576 ' O ' ' O ' ' A' ' 35' ' ' GLY . 58.8 m -131.51 31.6 4.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.354 -0.384 . . . . 1.0 111.741 -178.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.576 ' O ' ' O ' ' A' ' 34' ' ' SER . . . -39.36 168.88 0.01 OUTLIER Glycine 0 CA--C 1.527 0.8 0 N-CA-C 110.996 -0.842 . . . . 1.0 110.996 -178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.535 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 51.0 mp0 -145.64 161.09 40.64 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.993 -0.373 . . . . 1.0 109.993 -179.494 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.59 ' HG ' ' HG ' ' A' ' 22' ' ' CYS . 5.7 m -106.38 135.62 47.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 1.0 111.408 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.667 ' CD1' HD12 ' A' ' 48' ' ' ILE . 91.5 m-85 -122.13 161.89 22.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.926 -0.579 . . . . 1.0 110.236 179.456 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . 0.425 ' CE2' HD21 ' A' ' 45' ' ' LEU . 89.0 m-85 -93.78 126.64 39.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.458 -179.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 54.1 p30 -94.83 -168.56 1.84 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.297 -0.41 . . . . 1.0 110.524 179.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.7 mp0 -67.83 -34.63 77.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.506 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.05 9.6 5.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.61 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 61.85 18.58 9.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.266 -179.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -91.04 149.21 21.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.288 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.425 HD21 ' CE2' ' A' ' 39' ' ' TYR . 30.5 mt -83.53 102.56 12.22 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.77 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 51.7 mm-40 -86.11 122.04 29.57 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.611 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' SG ' ' O ' ' A' ' 11' ' ' TYR . 57.6 m -83.64 114.58 21.65 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.751 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.667 HD12 ' CD1' ' A' ' 38' ' ' PHE . 33.2 mt -109.55 109.55 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.667 179.587 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 94.3 m -73.67 124.96 26.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.608 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.755 ' O ' ' OD1' ' A' ' 50' ' ' ASP . 9.0 p30 -104.8 146.51 28.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.439 . . . . 1.0 111.181 179.455 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.478 ' C ' ' SG ' ' A' ' 52' ' ' CYS . 14.0 m-85 -110.34 97.92 7.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.203 178.441 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' SG ' ' C ' ' A' ' 51' ' ' TYR . 3.3 m 77.42 -70.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 1.0 111.702 178.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -67.44 133.33 49.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.838 0.351 . . . . 1.0 110.961 -179.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 41.5 p90 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.49 179.73 . . . . . . . . 0 0 . 1 stop_ save_